1. S. G. Louie and M. L. Cohen, "Electronic structure of cesium under pressure", Phys. Rev. B 10, 3237 (1974).

2. S. G. Louie, J. R. Chelikowsky, and M. L. Cohen, "Local-Field Effects in the Optical Spectrum of Silicon", Phys. Rev. Lett. 34, 155 (1975).

3. M. Schluter, J. R. Chelikowsky, S. G. Louie, and M. L. Cohen, "Self-Consistent Pseudopotential Calculations on Si(111) Unreconstructed and (2 x 1) Reconstructed Surfaces", Phys. Rev. Lett. 34, 1385 (1975).

4. M. Schluter, J. R. Chelikowsky, S. G. Louie, and M. L.Cohen, "Self-consistent pseudopotential calculations for Si (111) surfaces: Unreconstructed (1 x 1) and reconstructed (2 x 1) model structures", Phys. Rev. B 12, 4200 (1975).

5. J. R. Chelikowsky, M. Schluter, S. G. Louie, and M. L.Cohen, "Self-Consistent Pseudopotential Calculation for the (111) Surface of Aluminum", Solid State Comm. 17, 1103 (1975).

6. M. L. Cohen, M. Schluter, J. R. Chelikowsky, and S. G. Louie, "Self-consistent pseudopotential method for localized configurations: Molecules", Phys. Rev. B 12, 5575 (1975).

7. S. G. Louie and M. L. Cohen, "Self-Consistent Pseudopotential Calculation for a Metal-Semiconductor Interface", Phys. Rev. Lett. 35, 866 (1975). [Erratum: Phys. Rev. Lett. 36, 173 (1976).]

8. S. G. Louie, M. Schluter, J. R. Chelikowsky, and M. L. Cohen, "Self-consistent electronic states for reconstructed Si vacancy models", Phys. Rev. B 13, 1654 (1976).

9. S. G. Louie and M. L. Cohen, "Electronic structure of a metal-semiconductor interface", Phys. Rev. B 13, 2461 (1976).

10. J. R. Chelikowsky, S. G. Louie, and M. L. Cohen, "Surface States and Metal Overlayers on the (110) Surface of GaAs", Solid State Comm. 20, 641 (1976).

11. S. G. Louie, J. R. Chelikowsky, and M. L. Cohen, "Theory of semiconductor surface states and metal-semiconductor interfaces", J. Vac. Sci. Technol. 13, 790 (1976).

12. S. G. Louie, K. M. Ho, J. R. Chelikowsky, and M. L. Cohen, "Surface States on the (001) Surface of Nb", Phys. Rev. Lett. 37, 1289 (1976).

13. J. R. Chelikowsky, S. G. Louie, and M. L. Cohen, "Relaxation effects on the (110) surface of GaAs", Phys. Rev. B 14, 4724 (1976).

14. S. G. Louie, J. R. Chelikowsky, and M. L. Cohen, "Ionicity and the theory of Schottky barriers", Phys. Rev. B 15, 2154 (1977).

15. M. L. Cohen and S. G. Louie, "Some Comments on the Excitonic Mechanism of Superconductivity", in Superconductivity in d- and f-Band Metals, ed. D. H. Douglass (Plenum Press, New York, 1976), p. 7.

16. K. M. Ho, S. G. Louie, J. R. Chelikowsky, and M. L. Cohen, "Self-consistent pseudopotential calculation of the electronic structure of Nb", Phys. Rev. B 15, 1755 (1977).

17. S. G. Louie and M. L. Cohen, "Superconducting Transition Temperatures for Weak and Strong Electron-Phonon Coupling", Solid State Comm. 22, 1 (1977).

18. S. G. Louie, K. M. Ho, J. R. Chelikowsky, and M. L. Cohen, "Self-consistent pseudopotential calculations for the ideal (001) surface of Nb", Phys. Rev. B 15, 5627 (1977).

19. W. E. Pickett, S. G. Louie, and M. L. Cohen, "Ge-GaAs (110) Interface: A Self-Consistent Calculation of Interface States and Electronic Structure", Phys. Rev. Lett. 39, 109 (1977). [Erratum: Phys. Rev. Lett. 40, 1740 (1978)]

20. G. P. Kerker, S. G. Louie, and M. L. Cohen, "Electronic structure of the ideal and reconstructed Si(001) surface", Phys. Rev. B 17, 706 (1978).

21. W. E. Pickett, S. G. Louie, and M.L. Cohen, "Self-consistent calculations of interface states and electronic structure of the (110) interfaces of Ge-GaAs and AlAs-GaAs", Phys. Rev. B 17, 815 (1978). . [Erratum: Phys. Rev. B 18, 2966 (1978)]

22. J. Ihm, S. G. Louie, and M. L. Cohen, "Self-consistent pseudopotential calculations for Ge and diamond (111) surfaces", Phys. Rev. B 17, 769 (1978).

23. S. G. Louie and M. L. Cohen, "Dielectric screening and zone-center phonons in Si", Phys. Rev. B 17, 3174 (1978).

24. J. Ihm, S. G. Louie, and M. L. Cohen, "Diamond-Metal Interfaces and the Theory of Schottky Barriers", Phys. Rev. Lett. 40, 1208 (1978).

25. S. G. Louie, "Electronic States and Adsorbate-Induced Photoemission Structure on the Pd(111) Surface", Phys. Rev. Lett. 40, 1525 (1978).

26. J. Ihm, S. G. Louie, and M. L. Cohen, "Electronic structure of Ge and diamond Schottky barriers", Phys. Rev. B 18, 4172 (1978).

27. A. Pinczuk, S. G. Louie, B. Welber, J. C. Tsang, and J. A. Bradley, "The Conduction Band Parameters of GaAs at the D1C Minima", in Proceedings of the 14th International Conference on the Physics of Semiconductors, ed. B. L. H. Wilson (Inst. of Phys., 1981), p. 1191.

28. S. G. Louie, K. M. Ho, and M. L. Cohen, "Self-consistent mixed-basis approach to the electronic structure of solids", Phys. Rev. B 19, 1774 (1979).

29. S. G. Louie, "Hydrogen on Pd(111): Self-Consistent Electronic Structure, Chemical Bonding, and Photoemission Spectra", Phys. Rev. Lett. 42, 476 (1979).

30. S. G. Louie, P. Thiry, R. Pinchaux, Y. Petroff, D. Chandesris, and J. Lecante, "Periodic Oscillations of the Frequency-Dependent Photoelectric Cross Sections of Surface States: Theory and Experiment ,Phys. Rev. Lett. 44, 549 (1980).

31. S. G. Louie, "Cancellation Effects in Localized Orbital Theory", Solid State Comm. 34, 723 (1980).

32. S. G. Louie, "New localized-orbital method for calculating the electronic structure of molecules and solids: Covalent semiconductors", Phys. Rev. B 22, 1933 (1980).

33. S. G. Louie, "Electronic Structure of d-Band Metal Surfaces and Adsorption Systems", in Physics of Transition Metals, 1980 (Proc. of the 2nd Conf. on the Physics of Transition Metals, Conf. Series No. 55), ed. P. Rhodes (Inst. of Physics, London, 1981), p. 401.

34. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, "Electronic Structure of Third-Stage Lithium Intercalated Graphite", Phys. Rev. Lett. 47, 1318 (1981).

35. Z. H. Levine and S. G. Louie, "New model dielectric function and exchange-correlation potential for semiconductors and insulators", Phys. Rev. B 25, 6310 (1982).

36. S. G. Louie, S. Froyen, and M. L. Cohen, "Nonlinear ionic pseudopotentials in spin-density-functional calculations", Phys. Rev. B 26, 1738 (1982).

37. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, "X-ray form factors and the electronic structure of graphite", Phys. Rev. B. 26, 5382 (1982).

38. C. Minot and S. G. Louie, "Electronic structure of di-tetramethyltetraselenafulvalene-[(TMTSF)2X]: An extended Huckel calculation", Phys. Rev. B 26, 4793 (1982).

39. S. G. Louie, "Calculated optical and photoemission properties of GeSe2", Phys. Rev. B 26, 5993 (1982).

40. N. A. Holzwarth, S. G. Louie, and S. Rabii, "Electronic Structure of Graphite Intercalation Compounds", in The Proceedings of the Symposium on Intercalated Graphite, eds. M. S. Dresselhaus et al. (North Holland, New York, 1983), p. 107.

41. C. T. Chan and S. G. Louie, "Self-consistent pseudopotential calculation of the electronic structure of PdH and Pd4H", Phys. Rev. B 27, 3325 (1983).

42. W. Eberhardt, S. G. Louie, and E. W. Plummer, "Interaction of hydrogen with a Pd(111) surface", Phys. Rev. B 28, 465 (1983).

43. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, "Lithium-intercalated graphite: Self-consistent electronic structure for stages one, two, and three", Phys. Rev. B 28, 1013 (1983).

44. D. Vanderbilt and S. G. Louie, "A First Principles LCAO Study of Ideal and Reconstructed Diamond (111) 1x1 and 2x1 Surfaces", J. Vac. Sci. and Techn. B1, 723 (1983).

45. C. T. Chan and S. G. Louie, "Electronic Structure of Subsurface and Surface Chemisorption for Hydrogen on the Pd(111) Surfaces", Solid State Comm. 48, 417 (1983).

46. J. R. Chelikowsky and S. G. Louie, "First-principles linear combination of atomic orbitals method for the cohesive and structural properties of solids: Application to diamond", Phys. Rev. B 29, 3470 (1984).

47. D. Vanderbilt and S. G. Louie, "Total energy minimization for diamond (111) surfaces: Support for an undimerized pi -bonded chain reconstruction", Phys. Rev. B 29, 7099 (1984).

48. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, "Theoretical Valence Charge Densities for Graphite, Diamond, and LiC6", in Local Density Approximations in Quantum Chemistry and Solid State Physics, eds. J. P. Dahl and J. Avery (Plenum Press, New York, 1984), p. 665.

49. M. S. Hybertsen and S. G. Louie, "Non-Local Density Functional Theory for the Electronic and Structural Properties of Semiconductors", Solid State Comm. 51, 451 (1984).

50. M. Y. Chou, S. G. Louie, M. L. Cohen, and N. A. W. Holzwarth, "Electron momentum distribution in graphite and lithium-intercalated graphite", Phys. Rev. B 30, 1062 (1984).

51. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, "Interlayer states in graphite and in alkali-metal-graphite intercalation compounds", Phys. Rev. 30, 2219 (1984).

52. M. L. Cohen and S. G. Louie, "Electronic Properties of Surfaces", Ann. Rev. Phys. Chem. 35, 537 (1984).

53. D. Vanderbilt, S. G. Louie, and M. L. Cohen, "Calculation of Phonon-Phonon Interactions and the Absence of Two-Phonon Bound States in Diamond", Phys. Rev. Lett. 53, 1477 (1984).

54. D. Vanderbilt and S. G. Louie, "Total energies of diamond (111) surface reconstructions by a linear combination of atomic orbitals method", Phys. Rev. B 30, 6118 (1984).

55. C. T. Chan and S. G. Louie, "Hydrogen in subsurface sites of Pd(111): Self-consistent electronic structure", Phys. Rev. B 30, 4153 (1984).

56. D. Vanderbilt and S. G. Louie, "A Monte Carlo Simulated Annealing Approach to Optimization over Continuous Variables", J. Comput. Phys. 56, 259 (1984).

57. J. R. Chelikowsky, S. G. Louie, D. Vanderbilt, and C. T. Chan, "Total Energy Method for Solids and Solid Surfaces", Int. J. of Quant. Chem.: Quant. Chem. Symposium 18, 105 (1984).

58. M. S. Hybertsen and S. G. Louie, "Nonlocal-density-functional approximation for exchange and correlation in semiconductors", Phys. Rev. B 30, 5777 (1984).

59. S. G. Louie, "Pseudopotentials and Total Energy Calculations: Applications to Crystal Stability, Vibrational Properties, Phase Transformations, and Surface Structures", in Proceedings of NATO International Advanced Study Institute on Electronic Structure, Dynamics, and Quantum Structural Properties of Condensed Matter, eds. J. Devreese and P. Van Camp (Plenum Press, 1985), p. 335.

60. W. Maysenholder, S. G. Louie, and M. L. Cohen, "Cohesive properties of bcc and fcc rubidium from ab initio pseudopotentials", Phys. Rev. 31, 1817 (1985).

61. M. Y. Chou, M. L. Cohen, and S. G. Louie, "Compton Profile of Graphite and Lithium-Intercalated Graphite", in Proceedings of the Symposium on Intercalated Graphite Compounds, eds. P. C. Eklund, M. S. Dresselhaus, and G. Dresselhaus (MRS, Pittsburgh, 1984), p.68.

62. M. Y. Chou, S. G. Louie, and M. L. Cohen, "Theoretical Study of Stacking Faults in Silicon", in Proceedings of the 17th International Conference on the Physics of Semiconductors, eds. D. J. Chadi and W. A. Harrison (Springer-Verlag, New York, 1985), p.43.

63. M. S. Hybertsen and S. G. Louie, "Calculation of Optical Gaps in Silicon in the Screened Exchange-Coulomb Hole Approximation", in Proceedings of the 17th International Conference on the Physics of Semiconductors, eds. D. J. Chadi and W. A. Harrison (Springer-Verlag, New York, 1985), p.1001.

64. M. Hanfland, K. Syassen, S. Fahy, S. G. Louie, and M. L. Cohen, "Pressure dependence of the first-order Raman mode in diamond", Phys. Rev. B 31, 6896 (1985).

65. S. L. Richardson, M. L. Cohen, S. G. Louie, and J. R. Chelikowsky, "Comment on "Predicted Modifications in the Direct and Indirect Gaps of Tetrahedral Semiconductors"", Phys. Rev. Lett. 54, 2549 (1985).

66. D. Vanderbilt and S. G. Louie, "Energy Minimization Calculations for Diamond (111) Surface Reconstructions", in The Structure of Surfaces, eds. M. A. Van Hove and S. Y. Tong (Springer-Verlag, New York, 1985), p.29.

67. S. G. Louie, "Total Energy Calculations and Bonding at Interfaces", J. de Phys. Coll. C4, 335 (1985).

68. S. B. Zhang, M. L. Cohen, and S. G. Louie, "Interface potential changes and Schottky barriers", Phys. Rev. B 32, 3955 (1985).

69. M. S. Hybertsen and S. G. Louie, "First-Principles Theory of Quasiparticles: Calculation of Band Gaps in Semiconductors and Insulators", Phys. Rev. Lett. 55, 1418 (1985).

70. M. S. Hybertsen and S. G. Louie, "Electron correlation and the band gap in ionic crystals", Phys. Rev. B 32, 7005 (1985). [Erratum: Phys. Rev. B 35, 9308 (1987)]

71. M. Y. Chou, M. L. Cohen, and S. G. Louie, "Theoretical study of stacking faults in silicon", Phys. Rev. B 32, 7979 (1985).

72. S. L. Richardson, M. L. Cohen, S. G. Louie, and J. R. Chelikowsky, "Electron charge densities at conduction-band edges of semiconductors", Phys. Rev. B 33, 1177 (1986). [Erratum:  Phys. Rev. B 35, 9308 (1987)]

73. C. T. Chan, D. Vanderbilt, and S. G. Louie, "Application of a general self-consistency scheme in the linear combination of atomic orbitals formalism to the electronic and structural properties of Si and W", Phys. Rev. B 33, 2455 (1986). [Erratum: Phys. Rev. B 33, 8791 (1986)]

74. C. T. Chan and S. G. Louie, "Theoretical study of the surface energy and surface relaxation of the W(001) surface", Phys. Rev. B 33, 2861 (1986). [Erratum: Phys. Rev. B 33, 8792 (1986)]

75. M. Y. Chou, M. L. Cohen, and S. G. Louie, "Theoretical Compton profiles of graphite and LiC6", Phys. Rev. B 33, 6619 (1986).

76. D. Vanderbilt, S. G. Louie, and M. L. Cohen, "Calculation of anharmonic phonon couplings in C, Si, and Ge", Phys. Rev. B 33, 8740 (1986).

77. C. T. Chan, D. Vanderbilt, S. G. Louie, and J. R. Chelikowsky, "Theoretical study of the cohesive and structural properties of Mo and W in bcc, fcc, and hcp structures", Phys. Rev. 33, 7941 (1986).

78. M. Hanfland, K. Syassen, S. Fahy, S. G. Louie, and M. L. Cohen, "The First-Order Raman Mode of Diamond under Pressure", Physica B+C 139-140, 516 (1986).

79. S. B. Zhang, M. L. Cohen, and S. G. Louie, "Structural and electronic properties of the Al-GaAs(110) interface", Phys. Rev. B 34, 768 (1986).

80. S. Fahy, S. G. Louie, and M.L. Cohen, "Pseudopotential total-energy study of the transition from rhombohedral graphite to diamond", Phys. Rev. B 34, 1191 (1986).

81. M. S. Hybertsen and S. G. Louie, "Spin-orbit splitting in semiconductors and insulators from the ab initio pseudopotential", Phys. Rev. B 34, 2920 (1986).

82. M. S. Hybertsen and S. G. Louie, "Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies", Phys. Rev. B 34, 5390 (1986).

83. J. R. Chelikowsky, C. T. Chan, and S. G. Louie, "Theoretical study of the electronic, structural, and cohesive properties of ruthenium", Phys. Rev. B 34, 6656 (1986).

84. S. G. Louie, "Quasiparticle Energies in Semiconductors and Insulators", in Proceedings of the 18th Conference on the Physics of Semiconductors, ed. D. Engstrom (World Scientific, Singapore, 1987), p. 1095.

85. D. Tomanek, C. T. Chan, and S. G. Louie, "Ab Initio Calculation of Coverage-Dependent Adsorption Properties of H on Pd(001)", Phys. Rev. Lett. 57, 2594 (1986). [Erratum: Phys. Rev. Lett. 58, 287 (1987)]

86. C. T. Chan, S. G. Louie, and J. C. Phillips, "Potential fluctuations and density of gap states in amorphous semiconductors", Phys. Rev. B 35, 2744 (1987).

87. M. S. Hybertsen and S. G. Louie, "Many-body calculation of surface states: As on Ge(111)", Phys. Rev. Lett. 58, 1551 (1987).

88. M. S. Hybertsen and S. G. Louie, "Ab initio static dielectric matrices from the density-functional approach. I. Formulation and application to semiconductors and insulators", Phys. Rev. B 35, 5585 (1987).

89. M. S. Hybertsen and S. G. Louie, "Ab initio static dielectric matrices from the density-functional approach. II. Calculation of the screening response in diamond, Si, Ge, and LiCl", Phys. Rev. B 35, 5602 (1987).

90. S. Fahy, K. J. Chang, S. G. Louie, and M. L. Cohen, "Pressure coefficients of band gaps of diamond", Phys. Rev. B 35, 5856 (1987).

91. D. Tomanek, S. G. Louie, H. J. Mamin, D. W. Abraham, R. E. Thomson, E. Ganz, and J. Clarke, "Theory and observation of highly asymmetric atomic structure in scanning-tunneling-microscopy images of graphite", Phys. Rev. B 35, 7790 (1987).

92. S. Fahy, S. G. Louie, and M. L. Cohen, "Theoretical total-energy study of the transformation of graphite into hexagonal diamond", Phys. Rev. B 35, 7623 (1987).

93. S. Fahy and S. G. Louie, "High-pressure structural and electronic properties of carbon", Phys. Rev. B 36, 3373 (1987).

94. S. G. Louie, "Theory of Quasiparticle Energies and Excitation Spectra of Semiconductors and Insulators", in Electronic Band Structure and Its Applications, ed. M. Yussouff (Springer-Verlag, Heidelberg, 1987), p. 93.

95. J. E. Northrup, M. S. Hybertsen, and S. G. Louie, "Theory of quasiparticle energies in alkali metals", Phys. Rev. Lett. 59, 819 (1987).

96. S. G. Louie and M. S. Hybertsen, "Theory of Quasiparticle Energies: Band Gaps and Excitation Spectra in Solids", Int. J. of Quant. Chem.: Quant. Chem. Symp. 21, 31 (1987).

97. S. G. Louie, "Ab initio Calculation of Ground- and Excited-State Properties of Surfaces", in Proceedings of the Asia-Pacific Symposium on Surface Physics, ed. Xie Xide (World Scientific, Singapore, 1987), p. 140.

98. M. S. Hybertsen and S. G. Louie, "Theory and Calculation of Quasiparticle Energies and Band Gaps", Comments on Cond. Mat. Phys. 13, 223 (1987) .

99. U. Walter, S. Fahy, A. Zettl, S. G. Louie, M. L. Cohen, P. Tejedor, and A. M. Stacy, "Probing electronic density of states and magnetic interactions at the rare-earth site in ErBa2Cu3O7", Phys. Rev. B 36, 8899 (1987).

100. M. S. Hybertsen and S. G. Louie, "Model dielectric matrices for quasiparticle self-energy calculations", Phys. Rev. B 37, 2733 (1988).

101. R. S. Becker, B. S. Swartzentruber, J. S. Vickers, M. S. Hybertsen, and S. G. Louie, "Geometric and Local Electronic Structure of Si(111)-As", Phys. Rev. Lett. 60, 116 (1988).

102. C. Kittel, S. Fahy, and S. G. Louie, "Magnetic screening by a thin superconducting surface layer", Phys. Rev. B 37, 642 (1988).

103. D. Tomanek, R. M. Wentzcovitch, S. G. Louie, and M. L. Cohen, "Calculation of electronic and structural properties of BC3", Phys. Rev. B 37, 3134 (1988).

104. D. Tomanek and S. G. Louie, "First-principles calculation of highly asymmetric structure in scanning-tunneling-microscopy images of graphite", Phys. Rev. B 37, 8327 (1988).

105. S. G. Louie, "Calculating and Predicting the Properties of Materials", in High Speed Computing: Scientific Applications and Algorithm Design, ed. R. B. Wilhelmson (University of Illinois Press, Urbana, 1988), p. 112.

106. S. B. Zhang, D. Tomanek, S. G. Louie, M. L. Cohen, and M. S. Hybertsen, "Quasiparticle Calculation of Valence Band Offset of AlAs-GaAs(001)", Solid State Comm. 66, 585 (1988).

107. M. S. Hybertsen and S. G. Louie, "Theory of quasiparticle surface states in semiconductor surfaces", Phys. Rev. B 38, 4033 (1988).

108. R. M. Wentzcovitch, M. L. Cohen, and S. G. Louie, "Comparative Study of the Density of States of Graphite and BC3", Phys. Lett. A 131, 457 (1988).

109. R. M. Wentzcovitch, M. L. Cohen, S. G. Louie, and D. Tomanek, "σ-States Contribution to the Conductivity of BC3", Solid State Comm. 67, 515 (1988).

110. R. M. Wentzcovitch, S. Fahy, M. L. Cohen, and S. G. Louie, "Ab initio study of graphite --> diamondlike transitions in BN", Phys. Rev. B 38, 6191 (1988).

111. S. Fahy, X. W. Wang, and S. G. Louie, "Variational Quantum Monte Carlo Nonlocal Pseudopotential Approach to Solids: Cohesive and Structural Properties of Diamond", Phys. Rev. Lett. 61, 1631 (1988).

112. M. Surh, J. E. Northrup, and S. G. Louie, "Occupied quasiparticle bandwidth of potassium", Phys. Rev. B 38, 5976 (1988).

113. S. Fahy, C. Kittel, and S. G. Louie, "Electromagnetic Screening in Metals", Am. J. Phys. 56, 989 (1988).

114. M. S. Hybertsen and S. G. Louie, "First-Principles Theory of Semiconductor Surface State Energies", in Proceedings: 19th International Conference of the Physics of Semiconductors, ed. W. Zawadzki (Inst. of Physics, Warsaw, Poland, 1988), Vol. I, p.713.

115. S. Fahy, X. W. Wang, and S. G. Louie, "Quantum Monte Carlo Calculation of the Properties of Atomic Carbon and Diamond", in Proceedings: 19th International Conference of the Physics of Semiconductors, ed. W. Zawadzki (Inst. of Physics, Warsaw, Poland, 1988), Vol. II, p.845.

116. M. F. Li, M. P. Surh, and S. G. Louie, "Spin-orbit Inter in Proceedings: 19th International Conference of the Physics of Semiconductors, ed. W. Zawadzki (Inst. of Physics, Warsaw, Poland, 1988), Vol. II, p.857.

117. S. G. Louie, "First-Principles Calculation of Quasiparticle Energies at Surfaces and Interfaces: Semiconductor Surface-State Spectra and Band Offsets", in Solvay Conference on Surface Science, ed. F. W. de Wette (Springer-Verlag, Berlin, 1988), p. 399.

118. X. Zhu, S. Fahy, and S. G. Louie, "Ab initio calculation of pressure coefficients of band gaps of silicon: Comparison of the local-density approximation and quasiparticle results
", Phys. Rev. B 39, 7840 (1989). [Erratum: Phys. Rev. B 40, 5821 (1989)]

119. S. G. Louie, "Variational Quantum Monte Carlo Calculation of Materials Properties", in Atomic Scale Calculations in Materials Science, Materials Research Society Symposium Proceedings, Vol. 141, eds. J. Tersoff et al. (MRS, Pittsburgh, 1989) p.3.

120. R. P. Andres, R. S. Averback, W. L. Brown, L. E. Brus, W. A. Goddard III, A. Kaldor, S. G. Louie, M. Moscovits, P. S. Peercy, S. J. Riley, R. W. Siegel, F. Spaepen, and Y. Wang, "Research Opportunities on Clusters and Cluster-Assembled Materials", J. Mat. Res. 4, 704 (1989).

121. J. E. Northrup, M. S. Hybertsen, and S. G. Louie, "Quasiparticle excitation spectrum for nearly-free-electron metals", Phys. Rev. B. 39, 8198 (1989).

122. S. B. Zhang, D. Tomanek, M. L. Cohen, S. G. Louie, and M. S. Hybertsen, "Evaluation of quasiparticle energies for semiconductors without inversion symmetry", Phys. Rev. B 40, 3162 (1989).

123. S. Saito, S. B. Zhang, S. G. Louie, and M. L. Cohen, "Quasiparticle energies in small metal clusters", Phys. Rev. B 40, 3643 (1989).

124. S. G. Louie, "Theory of Ground- and Excited-State Properties of Solids, Surfaces, and Interfaces: Beyond Density Functional Formalism", in Atomistic Simulation of Materials, eds. V. Vitek and D. J.Srolovitz (Plenum Press, New York, 1989), p.125.

125. X. W. Wang, S. G. Louie, and M. L. Cohen, "Hydrogen interactions in PdHn (1 <= n <= 4)" Phys. Rev. B 40, 5822 (1989).

126. S. B. Zhang, M. S. Hybertsen, M. L. Cohen, S. G. Louie, and D. Tomanek, "Quasiparticle band gaps for ultrathin GaAs/AlAs(001) superlattices", Phys. Rev. Lett. 63, 1495 (1989).

127. S. G. Louie, "Ab initio Calculation of Materials Properties", in Proceedings of the DOE Workshop on Theory, Modeling and Instrumentation for Materials by Design, eds. R. E. Allen et al. (Oak Ridge National Laboratory Conference Proceedings CONF-8409210, 1989), p.128.

128. X. Zhu, S. B. Zhang, S. G. Louie, and M. L. Cohen, "Quasiparticle intepretation of photoemission spectra and optical properties of GaAs(110)", Phys. Rev. Lett. 63, 2112 (1989).

129. X. W. Wang and S. G. Louie, "First Principles Studies of S/Mo(001) Surfaces", Surf. Sci. 226, 257 (1990).

130. S. B. Zhang, M. L. Cohen, S. G. Louie, D. Tomanek, and M. S. Hybertsen, "Quasiparticle band offset at the (001) interface and band gaps in ultrathin superlattices of GaAs-AlAs heterojunctions", Phys. Rev. B 41, 10058 (1990).

131. M. S. Hybertsen and S. G. Louie, "Self-Energy Approach to Quasiparticle Energies Using a Density Functional Treatment of Dielectric Screening", in Density Functional Theory of Many-Fermion Systems , ed. S. B. Trickey (1990), p. 155.

132. S. G. Louie, "Variational Quantum Monte Carlo Calculation of Electronic and Structural Properties of Crystals", in Quantum Simulation of Condensed Matter Phenomena, ed. J. Gubernatis (World Scientific, Singapore, 1990), p.168.

133. S. Fahy, X. W. Wang, and S. G. Louie, "Variational quantum Monte Carlo nonlocal pseudopotential approach to solids: Formulation and application to diamond, graphite, and silicon" Phys. Rev. B 42, 3503 (1990). [Erratum: Phys. Rev. B 43, 9299 (1991)]

134. X. Zhu, S. B. Zhang, S. G. Louie, and M. L. Cohen, "Zhu et al. Reply to Anisotropy in the Optical Spectrum of GaAs (110) Surface" Phys. Rev. Lett. 65, 938 (1990).

135. S. Fahy, X. W. Wang, and S. G. Louie, "Pair-correlation function and single-particle occupation numbers in diamond and silicon", Phys. Rev. Lett. 65, 1478 (1990).

136. T. Pang and S. G. Louie, "Negative-donor centers in semiconductors and quantum wells", Phys. Rev. Lett. 65, 1635 (1990).

137. X. Zhu, M. S. Hybertsen, and S. G. Louie, "Theory of the Quasiparticle Effective Masses in Semiconductors Based on an Electron Self Energy Approach", Mat. Res. Soc. Symp. Proc. 193, 113 (1990).

138. S. Saito, S. B. Zhang, S. G. Louie, and M. L. Cohen, "New formalism for determining excitation spectra of many-body systems", Phys. Rev. B 42, 7391 (1990).

139. S. Saito, S. B. Zhang, S. G. Louie, and M. L. Cohen, "Quasiparticle Energies in Small Alkali-Metal Clusters", J. Phys. Cond. Matt. 2, 9041 (1990).

140. X. W. Wang, J. Zhu, S. G. Louie, and S. Fahy, "Magnetic structure and equation of state of bcc solid hydrogen: A variational quantum Monte Carlo study", Phys. Rev. Lett. 65, 2414 (1990).

141. H. Chacham, X. Zhu, and S. G. Louie, "Metal-Insulator Transition in Solid Xenon at High Pressures", Europhys. Lett. 14, 65 (1991).

142. H. Chacham and S. G. Louie, "Metallization of solid hydrogen at megabar pressures: A first-principles quasiparticle study", Phys. Rev. Lett. 66, 64 (1991).

143. J. E. Northrup, M. S. Hybertsen, and S. G. Louie, "Many-body calculation of the surface-state energies for Si(111)2 x 1", Phys. Rev. Lett. 66, 500 (1991).

144. M. P. Surh, M.-F. Li, and S. G. Louie, "Spin-orbit splitting of GaAs and InSb bands near Gamma ", Phys. Rev. B 43, 4286 (1991).

145. D. Tomanek, Z. Sun, and S. G. Louie, "Ab initio calculation of chemisorption systems: H on Pd(001) and Pd(110)", Phys. Rev. B 43, 4699 (1991).

146. L. C. Brunel, S. G. Louie, G. Martinez, S. Labdi, and H. Raffy, "Superconducting gap in Bi2Sr2CaCu2O8", Phys. Rev. Lett. 66, 1346 (1991).

147. X. W. Wang, S. G. Louie, and M. L. Cohen, "Predicting High Pressure and Excited State Properties of Real Materials", Int. J. of Supercom. Applic., 5, 21 (1991).

148. J. E. Northrup, M. S. Hybertsen, and S. G. Louie, "Many-Body Calculation of the Surface State Energies for Si(111)2x1", in Proceedings of the 20th International Conference on the Physics of Semiconductors, eds. E. M. Anastassakis and J. D. Joannopoulos (World Scientific, Singapore, 1990), p. 119.

149. M. P. Surh, S. G. Louie, and M. L. Cohen, "Quasiparticle energies for cubic BN, BP, and BAs", Phys. Rev. B 43, 9126 (1991).

150. S. B. Zhang, M. L. Cohen, and S. G. Louie, "Chemical shift and zone-folding effects on the energy gaps of GaAs-AlAs (001) superlattices", Phys. Rev. B 43, 9951 (1991).

151. X. Zhu and S. G. Louie, "Quasiparticle surface band structure and photoelectric threshold of Ge(111)-2 x 1", Phys. Rev. B 43, 12146 (1991).

152. X. Zhu and S. G. Louie, "Quasiparticle band structure of thirteen semiconductors and insulators", Phys. Rev. B 43, 14142 (1991).

153. S. G. Louie, "Condensed Matter Physics", in Yearbook of Science and the Future 1992 (Encyclopaedia Britannica, Inc., Chicago, 1991), p. 397.

154. S. G. Louie, "Theory of Electronic Excitations in Solids", in Electronic Materials: A New Era of Materials Sciences, eds. J. R. Chelikowsky and A. Franciosi (Springer-Verlag, Berlin, 1991), p. 23.

155. G. Martinez, L. C. Brunel, S. G. Louie, S. Labdi, and H. Rafty, "Superconducting Gap and Magnetic Field Effects in Bi2Sr2CaCu2O8", Physica C 185 - 189, 1753 (1991).

156. S. G. Louie and T. Pang, "Negative Donor Centers in High Magnetic Fields and Quantum Wells", in New Horizons in Low-Dimensional Electron Systems, eds. H. Aoki et al. (Kluwer Press, 1992), p. 445.

157. S. G. Louie, "Ab initio Calculations of Properties of Crystals, Surfaces, and Materials Under Pressure", in Proceedings of the EOE First Energy Research Power Supercomputer Users Symposium, (Oak Ridge National Laboratory Conference Proceedings, CONF-9105202), Section 14.

158. X. Zhu and S. G. Louie, "Anharmonicity of the hydrogen-carbon stretch mode on diamond (111)-1 x 1", Phys. Rev. B 45, 3940 (1992).

159. X. Zhu, X. W. Wang, and S. G. Louie, "First-principles pseudopotential calculations of magnetic iron", Phys. Rev. B 45, 8887 (1992).

160. M. P. Surh, S. G. Louie, and M. L. Cohen, "Band gaps of diamond under anisotropic stress", Phys. Rev. B 45, 8239 (1992).

161. S. G. Louie, "Quasiparticle Excitations and Photoemission", in Angle-Resolved Photoemission, ed. S. D. Kevan (Elsevier, Amsterdam, 1992), p. 63.

162. S. G. Louie, "Theory of Electronic Excitations on Semiconductor Surfaces", Appl. Surf. Sci. 60/61, 13 (1992).

163. H. Chacham, X. Zhu, and S. G. Louie, "Pressure-induced insulator-metal transitions in solid xenon and hydrogen: A first-principles quasiparticle study", Phys. Rev. B 46, 6688 (1992). [Erratum: Phys. Rev. B 48, 2025 (1993)]

164. A. Garcia, C. Elsasser, X. Zhu, S. G. Louie, and M. L. Cohen, "Use of gradient-corrected functionals in total-energy calculations for solids", Phys. Rev. B 46, 9829 (1992). [Erratum: Phys. Rev. B 47, 4150 (1993).]

165. E. Shirley, X. Zhu, and S. G. Louie, "Core polarization in semiconductors: Effects on quasiparticle energies", Phys. Rev. Lett. 69, 2955 (1992).

166. X.-J. Zhu and S. G. Louie, "Wigner crystallization in the fractional quantum Hall regime: A variational quantum Monte Carlo study", Phys. Rev. Lett. 70, 335 (1993).

167. J. Zhu, S. G. Louie, and T. Pang, "D- Centers in High Magnetic Fields and Quantum Wells", Mat. Sci. Forum 117 - 118, 1 (1993).

168. K. Hricovini, R. Gunther, P. Thiry, A. Taleb-Ibrahimi, G. Indlekofer, J. E. Bonnet, P. Dumas, Y. Petroff, X. Blase, X.-J. Zhu, S. G. Louie, Y. J. Chabal, and P. A. Thiry "Electronic structure and its dependence on local order for H/Si(111)-(1 x 1) surfaces", Phys. Rev. Lett. 70, 1992 (1993).

169. S. G. Louie and X.-J. Zhu, "Electron Correlations in Semiconductors: Bulk Cohesive Properties and Magnetic-Field-Induced Wigner Crystal at Heterojunctions", in Proceedings of the 21st International Conference on the Physics of Semiconductors, eds. P. Jiang and H.-Z. Zheng (World Scientific, Singapore, 1992), p. 61.

170. X.-J. Zhu and S. G. Louie, "Quasiparticle Properties of Ge(111) 2x1 Surface", in Proceedings of the 21st International Conference on the Physics of Semiconductors, eds. P. Jiang and H.-Z. Zheng (World Scientific, Singapore, 1992), p. 493.

171. E. L. Shirley and S. G. Louie, "Electron excitations in solid C60: Energy gap, band dispersions, and effects of orientational disorder", Phys. Rev. Lett. 71, 133 (1993).

172. S. Huant, A. Mandray, J. Zhu, T. Pang, S. G. Louie, and B. Etienne, "Well-width dependence of D- cyclotron resonance in quantum wells", Phys. Rev. B 48, 2370 (1993).

173. L.-C. Brunel, S. G. Louie, G. Martinez, S. Labdi and H. Rafty, "Superconducting Gap in High Tc Superconductors: Bi2Sr2CaCuO8", in Proceedings of the International Conference on High Temperature Superconductivity and Localization Phenomena, eds. A. A. Aronov, A. I. Larkin, and V. S. Lutovinov (World Scientific, Singapore, 1992), p. 279.

174. S. G. Louie, "Correlated Wavefunction Quantum Monte Carlo Approach to Solids", in Interatomic Potential and Structural Stability, eds. K. Terakura and H. Akai (Springer-Verlag, Berlin, 1993), p. 181.

175. R. Price, X.-J. Zhu, P. M. Platzman, and S. G. Louie, "Freezing of the quantum Hall liquid at nu =1/7 and 1/9", Phys. Rev. B 48, 11473 (1993).

176. A. Rubio, J. L. Corkill, M. L. Cohen, E. L. Shirley, and S. G. Louie, "Quasiparticle band structure of AlN and GaN", Phys. Rev. B 48, 11810 (1993).

177. S. G. Louie, "Excited States in Electronic Structure Calculations", in Vacuum Ultraviolet Radiation Physics", Proceedings of the 10th International VUV Conference , eds. F. J. Wuilleumier, Y. Petroff, and I. Nenner, (World Scientific: Singapore), 1993, p.408.

178. X.-J. Zhu and S. G. Louie, "Spin ordering of two-dimensional electron lattices", Phys. Rev. B 48, 13661 (1993).

179. S. G. Louie and E. L. Shirley, "Electron Excitation Energies in Fullerites: Many-Electron and Molecular Orientational Effects", J. Phys. Chem. Solids 54, 1767 (1993).

180. T. Sasaki, A.M. Rappe, and S.G. Louie, "Application of Optimized Pseudopotentials to Magnetic Systems", Science Reports of the Research Institute Tohoku University Series A - Physics, Chemistry, and Metallurgy, Vol. 39, 37 (1993).

181. S. G. Louie, "Quasiparticle Theory of Surface Electronic Excitation Energies", Surf. Sci. 299/300, 346 (1994).

182. S. G. Louie and E. L. Shirley, "Quasiparticle Excitations and Photoemission Spectra in Solid C60", Brazilian Journal of Physics 24, 43 (1994).

183. X. Blase, X.-J. Zhu, and S. G. Louie, "Self-energy effects on the surface-state energies of H-Si(111)1 x 1", Phys. Rev. B 49, 4973 (1994).

184. X. Blase, L. X. Benedict, E. L. Shirley, and S. G. Louie, "Hybridization effects and metallicity in small radius carbon nanotubes", Phys. Rev. Lett. 72, 1878 (1994).

185. Y. Miyamoto, A. Rubio, M. L. Cohen, and S. G. Louie, "Chiral tubules of hexagonal BC2N", Phys. Rev. B 50, 4976 (1994).

186. X. Blase, A.J.R. da Silva, X. Zhu, and S. G. Louie, "Si 2p core-level chemical shifts at the H/Si(111)-(1 x 1) surface", Phys. Rev. B (RC), 50, 8102 (1994).

187. J. A. Carlisle, L. J. Terminello, A. V. Hamza, E. A. Hudson, E. L. Shirley, F. J. Himpsel, D. A. Lapiano-Smith, J. J. Jia, T. A. Callcott, R. C. C. Perera, D. K. Shuh, S. G. Louie, J. Stohr, M. G. Samant, and D. L. Ederer, "Occupied and Unoccupied Orbitals of C60 and C70", Mol. Cryst. and Liq. Cryst. 256, 819 (1994).

188. O. Zakharov, A. Rubio, X. Blase, M.L. Cohen, and S. G. Louie, "Quasiparticle band structures of six II-VI compounds: ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe", Phys. Rev. B 50, 10780 (1994).

189. S. G. Louie, "Electronic Structure of C60 Fullerites and Nanotubes", Proc. Int. Conf. on Electronic Properties of Novel Materials - Progress in Fullerene Research , eds. H. Kuzmany et al. (World Scientific, Singapore, 1994) p. 303.

190. X. Blase, A. Rubio, S. G. Louie, and M. L. Cohen, "Stability and Band Gap Constancy of Boron-Nitride Nanotubes", Euro. Phys. Lett. 28, 335 (1994).

191. Y. Miyamoto, A. Rubio, S.G. Louie and M.L. Cohen, "Electronic properties of tubule forms of hexagonal BC3", Phys. Rev. B 50, 18360 (1994).

192. J. A. Carlisle, L. J. Terminello, E. A. Hudson, E. L. Shirley, F. J. Himpsel, J. J. Jia, T. A. Callcott, R. C. C. Perera, S. G. Louie, J. Stohr, M. G. Samant, and D. L. Ederer, "Occupied and Unoccupied Orbitals of C60 and C70 Probed With C 1S Emission and Absorption", Mat. Res. Soc. Symp. Proc. 349, 245 (1994).

193. B. Kralik, A.M. Rappe, and S. G. Louie, "Correlated Wavefunction Monte Carlo Studies of Excitations in the Quantum Hall Liquids", Proc. of the 22nd International Conference on the Physics of Semiconductors, 1994, ed. D.J. Lockwood, (World Scientific, Singapore, 1995), p.999.

194. C. Hartmann, M. Zigone, G. Martinez, E.L. Shirley, L.X. Benedict, S.G. Louie, M.S. Fuhrer, and A. Zettl, "Optical Investigation of the Electron-Phonon Interaction in C60 Fullerites", Proc. of the 22nd International Conference on the Physics of Semiconductors, 1994, ed. D.J. Lockwood, (World Scientific, Singapore, 1995), p.2105.

195. X. Blase, A. Rubio, S.G. Louie, and M.L. Cohen, "Quasiparticle band structure of bulk hexagonal boron nitride and related systems", Phys. Rev. B 51, 6868 (1995).

196. Y. Miyamoto, A. Rubio, X. Blase, M.L. Cohen, and S.G. Louie "Ionic Cohesion and Electron Doping of Thin Carbon Tubules with Alkali Atoms", Phys. Rev. Lett. 74, 2993 (1995).

197. M.P. Surh, H. Chacham, and S.G. Louie, "Quasiparticle excitation energies for the F-center defect in LiCl", Phys. Rev. B. 51, 7464 (1995).

198. Z. Weng-Sieh, K. Cherrey, N.S. Chopra, A. Zettl, R. Gronsky, X. Blase, Y. Miyamoto, A. Rubio, S.G. Louie, and M.L. Cohen, "Synthesis of BxCyNz nanotubules", Phys. Rev. B (RC) 51, 11229 (1995).

199. R.P. Chin, X. Blase, Y.R. Shen, and S.G. Louie, "Anharmonicity and Lifetime of the CH Stretch Mode on Diamond H/C(111) - (1 x 1)", Europhysics Lett. 30, 399 (1995).

200. N.G. Chopra, R.J. Luyken, K. Cherrey, V.H. Crespi, M.L. Cohen, S.G. Louie, and A. Zettl, "Boron-Nitride Nanotubes", Science 269, 966 (1995).

201. X.-J. Zhu and S.G. Louie, "Variational quantum Monte Carlo study of two-dimensional Wigner crystals: Exchange, correlation, and magnetic-field effects", Phys. Rev. B. 52, 5863 (1995).

202. X. Blase, A. Rubio, S.G. Louie, and M.L. Cohen, "Mixed-space formalism for the dielectric response in periodic systems", Phys. Rev. B 52, R 2225 (1995).

203. N.G. Chopra, L.X. Benedict, V.H. Crespi, M.L. Cohen, S.G. Louie, and A. Zettl, "Fully Collapsed Carbon Nanotubes", Nature 377, 135 (1995).

204. C. Hartmann, M. Zigone, G. Martinez, E.L. Shirley, L.X. Benedict, S.G. Louie, M.S. Fuhrer, and A. Zettl, "Investigation of the absorption edge of C60 fullerite", Phys. Rev. B 52, R 5550 (1995).

205. L.X. Benedict, S.G. Louie, and M.L. Cohen, "Static polarizabilities of single-wall carbon nanotubes", Phys. Rev. B. 52, 8541 (1995).

206. T. Sasaki, A.M. Rappe, and S.G. Louie, "Ab initio optimized pseudopotential calculations of magnetic systems", Phys. Rev. B 52, 12760 (1995).

207. B. Kralik, A.M. Rappe, and S.G. Louie, "Theory of the spin-flip excitations in the nu =1 quantum Hall liquid", Phys. Rev. B 52, R 11626 (1995).

208. L.X. Benedict, V.H. Crespi, S.G. Louie, and M.L. Cohen, "Static conductivity and superconductivity of carbon nanotubes: Relations between tubes and sheets", Phys. Rev. B 52, 14935 (1995).

209. Y. Miyamoto, M.L. Cohen, and S.G. Louie, "Ab initio calculation of phonon spectra for graphite, BN, and BC2N sheets", Phys. Rev. B 52, 14971 (1995).

210. L. Chico, V.H. Crespi, L.X. Benedict, S.G. Louie, and M. L. Cohen, "Pure Carbon Nanoscale Devices: Nanotube Heterojunctions", Phys. Rev. Letters 76, 971 (1996).

211. S.G. Louie, "Quasiparticle Theory of Electron Excitations in Solids", in Quantum Theory of Real Materials, eds. J.R. Chelikowsky and S.G. Louie, (Kluwer Press, Boston, 1996), p. 83.

212. E.L. Shirley and S.G. Louie, "Photoemission and Optical Properties of C60 Fullerites", in Quantum Theory of Real Materials, eds. J.R. Chelikowsky and S.G. Louie (Kluwer Press, Boston, 1996), p. 515.

213. A. Rubio, Y. Miyamoto, X. Blase, M.L. Cohen, and S.G. Louie, "Theoretical study of one-dimensional chains of metal atoms in nanotubes", Phys. Rev. B 53, 4023 (1996).

214. Y. Miyamoto, S.G. Louie, and M.L. Cohen, "Chiral Conductivities of Nanotubes", Phys. Rev. Lett. 76, 2121 (1996).

215. S.G. Louie, "Theoretical Study of the Structure and Electronic Properties of Carbon and BxCyNz Nanotubes", in The Chemical Physics of Fullerenes 10(5) Years Later, ed. W. Andreoni (Kluwer Press, Boston, 1996), p. 419.

216. V.H. Crespi, L.X. Benedict, M.L. Cohen, and S.G. Louie, "Prediction of a pure-carbon planar covalent metal", Phys. Rev. B 53, 13303 (1996).

217. F. Mauri and S.G. Louie, "Magnetic Susceptibility of Insulators from First Principles", Phys. Rev. Lett. 76, 4246 (1996).

218. A. Rubio, J.A. Alonso, X. Blase, L.C. Balbas, and S.G. Louie, "Ab Initio Photoabsorption Spectra and Structures of Small Semiconductor and Metal Clusters", Phys. Rev. Lett. 77, 247 (1996). [Erratum: Phys. Rev. Lett. 77, 5442 (1996)]

219. L. Chico, L.X. Benedict, S.G. Louie, and M.L. Cohen, "Quantum conductance of carbon nanotubes with defects", Phys. Rev. B 54, 2600 (1996). [Erratum: 61, 10511 (2000).]

220. F. Mauri, O. Zakharov, S. de Gironcoli, S.G. Louie, and M.L. Cohen, "Phonon Softening and Superconductivity in Tellurium under Pressure", Phys. Rev. Lett. 77, 1151(1996).

221. S.G. Louie, "Ab Initio Calculation of Electron Excitation Energies in Solids", in Modelling and Simulation for Materials Design, eds. S. Nishijima and H. Onodera (NRIM, Japan, 1996) p. 61.

222. V.H. Crespi, N.G. Chopra, M.L. Cohen, A. Zettl, and S.G. Louie, "Anisotropic electron-beam damage and the collapse of carbon nanotubes", Phys. Rev. B 54, 5927 (1996).

223. E.L. Shirley, L.X. Benedict, and S.G. Louie, "Excitons in solid C60", Phys. Rev. B 54, 10970 (1996).

224. S.G. Louie, "Nanoparticles Behaving Oddly", Nature 384, 612 (1996).

225. L.X. Benedict, S.G. Louie, and M.L. Cohen, "Heat Capacity of Carbon Nanotubes", Solid State Comm. 100, 177 (1996).

226. F. Mauri, B.G. Pfrommer, and S.G. Louie, "Ab Initio Theory of NMR Chemical Shifts in Solids and Liquids", Phys. Rev. Lett. 77, 5300 (1996).

227. B.G. Pfrommer, M. Cote, S.G. Louie, and M.L. Cohen, "Relaxation of Crystals with the Quasi-Newton Method", J. Computational Physics 131, 233 (1997).

228. Y. Miyamoto, M.L. Cohen, and S.G. Louie, "Theoretical Investigation of Graphitic Carbon Nitride and Possible Tubule Forms", Solid State Comm. 102, 605 (1997).

229. Y.A. Krotov, D.-H. Lee, and S.G. Louie, "Low Energy Properties of (n,n) Carbon Nanotubes", Phys. Rev. Lett. 78, 4245 (1997).

230. S.G. Louie, "Structures and Properties of Carbon and B-C-N Nanotubes", in Proceedings of the Robert A. Welch Foundation 40th Conference on Chemical Research: Chemistry on the Nanometer Scale (The Robert A. Welch Foundation, Houston, 1997), p. 141.

231. K. Ohno, F. Mauri, and S.G. Louie, "Magnetic susceptibility of semiconductors by an all-electron first-principles approach", Phys. Rev. B 56, 1009 (1997).

232. W.A. Caldwell, J.H. Nguyen, B.G. Pfrommer, F. Mauri, S.G. Louie, and R. Jeanloz, "Structure, Bonding, and Geochemistry of Xenon at High Pressures", Science 277, 930 (1997).

233. B. Kralik, A.M. Rappe, and S.G. Louie, "Variational Monte Carlo calculation of the spin gap in the nu =1 quantum Hall liquid", Phys. Rev. B 56, 4760 (1997).

234. S. Ogut, J.R. Chelikowsky, and S.G. Louie, "Quantum Confinement and Optical Gaps in Si Nanocrystals", Phys. Rev. Lett. 79, 1770 (1997).

235. E.L. Shirley, X.-J. Zhu, and S.G. Louie, "Core polarization in solids: Formulation and application to semiconductors", Phys. Rev. B 56, 6648 (1997).

236. B.G. Pfrommer, M. Cote, S.G. Louie, and M.L. Cohen, "Ab initio study of silicon in the R8 phase", Phys. Rev. B 56, 6662 (1997).

237. F. Mauri, B.G. Pfrommer, and S.G. Louie, "Ab initio NMR Chemical Shift of Diamond, Chemical-Vapor-Deposited Diamond, and Amorphous Carbon", Phys. Rev. Lett. 79, 2340 (1997).

238. S.G. Louie, "First-Principles Theory of Electron Excitation Energies in Solids, Surfaces, and Defects", in Topics in Computational Materials Science, ed. C. Y. Fong (World Scientific, Singapore, 1997) p. 96.

239. O. Zakharov, M.L. Cohen, S.G. Louie, and D.R. Penn, "Dynamical Screening at the Metal-Semiconductor Interface and Excitonic Superconductivity", J. of Phys. C: Cond. Matt. 9, 8501 (1997).

240. A. Rubio, J.A. Alonso, X. Blase, and S.G. Louie, "Theoretical Models for the Optical Properties of Clusters and Nanostructures", Int. J. of Mod. Phys. B 11, 2727 (1997).

241. P. Delaney, H.J. Choi, J. Ihm, S.G. Louie, and M.L. Cohen, "Broken Symmetry and Pseudogaps in Ropes of Carbon Nanotubes", Nature 391, 466 (1998).

242. S. Han, J. Ihm, S.G. Louie, and M.L. Cohen, "Enhancement of Surface Hardness: Boron on Diamond (111)", Phys. Rev. Lett. 80, 995 (1998).

243. B. Kralik, E.K. Chang, and S. G. Louie, "Structural properties and quasiparticle band structure of zirconia", Phys. Rev. B 57, 7027 (1998).

244. M. Rohlfing and S. G. Louie, "Excitonic Effects and the Optical Absorption Spectrum of Hydrogenated Si Clusters", Phys. Rev. Lett. 80, 3320 (1998).

245. Y.-G. Yoon, B.G. Pfrommer, F. Mauri, and S. G. Louie, "NMR Chemical Shifts in Hard Carbon Nitride Compounds", Phys. Rev. Lett. 80, 3388 (1998).

246. J.C. Grossman, M. Cote, S.G. Louie, and M.L. Cohen, "Electronic and Structural Properties of Molecular C36", Chem. Phys. Lett. 284, 344 (1998).

247. M. Rohlfing and S.G. Louie, "Quasiparticle band structure of HgSe", Phys. Rev. B 57, R9392 (1998).

248. B.G. Pfrommer, S.G. Louie, and H. Simon, "Conjugate-Gradient Based Electronic Structure Calculations in the Cray T3E and SGI Power Challenge, Proceedings Eighth SIAM Conference on Parallel Processing for Scientific Computing

249. L.X. Benedict, N.G. Chopra, M.L. Cohen, A. Zettl, S.G. Louie, and V.H. Crespi, "Microscopic Determination of the Interlayer Binding Energy in Graphite", Chem. Phys. Lett. 286, 490 (1998).

250. S. Ogut, J.R. Chelikowsky, and S.G. Louie, "Reply to a Comment on 'Quantum Confinement and Optical Gaps in Si Nanocrystals:'" Phys. Rev. Lett. 80, 3162 (1998).

251. B. Kralik, P. Delaney, and S.G. Louie, "Correlation Effects in the Compton Profile of Silicon", Phys. Rev. Lett. 80, 4253 (1998).

252. C. Elsasser, J. Zhu, S.G. Louie, M. Fahnle, and C.T. Chan, "Ab Initio Study of Iron and Iron Hydride: I. Cohesion, Magnetism and Electronic Structure of Cubic Fe and FeH", J. Phys.: Cond. Matt. 10, 5081 (1998).

253. C. Elsasser, Jing Zhu, S.G. Louie, B. Meyer, M. Fahnle, and C.T. Chan, "Ab Initio Study of Iron and Iron Hydride: II. Structural and Magnetic Properties of Close-Packed Fe and FeH", J. Phys.: Cond. Matt. 10, 5113 (1998).

254. C. Elsasser, H. Krimmel, M. Fahnle, S.G. Louie, and C.T. Chan, "Ab Initio Study of Iron and Iron Hydride: III. Vibrational States of H Isotopes in Fe, Cr and Ni", J. Phys.: Cond. Matt. 10, 5131 (1998).

255. M. Cote, J.C. Grossman, M.L. Cohen, and S.G. Louie, "Electron-Phonon Interactions in Solid C36", Phys. Rev. Lett. 81, 697 (1998).

256. M. Cote, J.C. Grossman, M.L. Cohen, and S.G. Louie, "Electronic, Structural and Superconducting Properties of Molecular and Solid C36", in Proceedings of the Symposium on: Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials, Vol. 6 (The Electrochemical Society, 1998) p. 33.

257. P. Delaney, B. Kralik, and S.G. Louie, "Compton profiles of Si: Pseudopotential calculation and reconstruction effects", Phys. Rev. B 58, 4320 (1998).

258. S. Saito, S.G. Louie, and M.L. Cohen, "Tight-Binding Formalism for Ionic Fullerides and Its Application to Alkali-C60 Polymers", in Mat. Res. Soc. Symp.Proc. 491, 395 (1998).

259. M. Cote, J.C. Grossman, M.L. Cohen, and S.G. Louie, "Theoretical study of a three-dimensional all-sp2 structure", Phys. Rev. B 58, 664 (1998).

260. M. Rohlfing and S.G. Louie, "Electron-Hole Excitations in Semiconductors and Insulators", Phys. Rev. Lett. 81, 2312 (1998).

261. P. Cervantes, Q. Williams, M. Cote, M. Rohlfing, M.L. Cohen, and S.G. Louie, "Band structures of CsCl-structured BaS and CaSe at high pressure: Implications for metallization pressures of the alkaline earth chalcogenides", Phys. Rev. B 58, 9793 (1998).

262. B.G. Pfrommer and S.G. Louie, "Density-functional study of the magnetic and metal-insulator transition of bcc hydrogen", Phys. Rev. B 58, 12680 (1998).

263. M.S. Fuhrer, U. Varadarajan, W. Holmes, P.L. Richards, P. Delaney, S.G. Louie, and A. Zettl, "Transport and localization in single-walled carbon nanotubes", in AIP Conference Proceedings (no. 442), Electronic Properties of Novel Materials - Progress in Molecular Nanostructures (XI International Winterschool, Kirchberg Tyrol, Austria, March 1998) p. 69.

264. J.R. Chelikowsky, S. Ogut, and S.G. Louie, "Optical Gaps and Screening in Quantum Dots", in Computational Modeling and Simulation of Materials, ed. P. Vincenzini (Proceedings of the 9th CIMTEC World Ceramic Congress and Forum on New Materials, 1999).

265. P.G. Collins, J.C. Grossman, M. Cote, M. Ishigami, C. Piskoti, S.G. Louie, M.L. Cohen, and A. Zettl, "Scanning Tunneling Spectroscopy of C36", Phys. Rev. Lett. 82, 165 (1999).

266. M. Rohlfing and S.G. Louie, "Optical Excitations in Conjugated Polymers", Phys. Rev. Lett. 82, 1959 (1999).

267. J.C. Grossman, W.A. Lester, Jr., and S.G. Louie, "Cyclopentadiene Stability: Quantum Monte Carlo, Coupled Cluster, and Density Functional Theory Determinations", Molecular Phys. 96, 629 (1999).

268. S.-H. Jhi, J. Ihm, S.G. Louie, and M.L. Cohen, "Electronic Mechanism of Hardness Enhancement in Transition-Metal Carbonitrides", Nature 399, 132 (1999).

269. M.S. Fuhrer, W. Holmes, P.L. Richards, P. Delaney, S.G. Louie, and A. Zettl "Nonlinear Transport and Localization in Single-Walled Carbon Nanotubes", Synthetic Met. 103, 2529 (1999).

270. M. Rohlfing and S.G. Louie, "Excitons and Optical Spectrum of the Si(111)-(2 x 1) Surface", Phys. Rev. Lett. 83, 856 (1999).

271. S. Ogut, J.R. Chelikowsky, and S.G. Louie, "Comment on 'Quantum Confinement and Optical Gaps in Si Nanocrystals' - Reply" Phys. Rev. Lett. 83, 1270 (1999).

272. F. Mauri, B.G. Pfrommer, and S.G. Louie, "Signature of surface states on NMR chemical shifts: A theoretical prediction", Phys. Rev. B 60, 2941 (1999).

273. A. Mizel, L.X. Benedict, M.L. Cohen, S.G. Louie, A. Zettl, N.K. Budraa, and W.P. Beyermann, "Analysis of the low-temperature specific heat of multiwalled carbon nanotubes and carbon nanotube ropes", Phys. Rev. B 60, 3264 (1999).

274. J.C. Grossman, A. Mizel, M. Cote, M.L. Cohen, and S.G. Louie, "Transition metals and their carbides and nitrides: Trends in electronic and structural properties", Phys. Rev. B 60, 6343 (1999).

275. J.C. Grossman, S.G. Louie, and M.L. Cohen, "Solid C36: Crystal structures, formation, and effects of doping", Phys. Rev. B Rapid Comm. 60, R6941 (1999).

276. P. Delaney, H.J. Choi, J. Ihm, S.G. Louie, and M.L. Cohen, "Broken symmetry and pseudogaps in ropes of carbon nanotubes", Phys. Rev. B 60, 7899 (1999).

277. M. Rohlfing and S. G. Louie, "Optical Reflectivity of the Si(111) - (2x1) Surface. The Role of the Electron-Hole Interaction", Phys. Status Solidi (a) 175, 17 (1999).

278. Y. Miyamoto, A. Rubio, S. G. Louie and M. L. Cohen, "Self-inductance of chiral conducting nanotubes", Phys. Rev. B 60, 13885 (1999).

279. M. Rohlfing and S. G. Louie, "Quasiparticle and Optical Excitations in Solids and Clusters", Electron Correlations and Materials Properties, eds. A. Gonis, N. Kioussis, and M. Ciftan (Kluwer Academic/Plenum, New York, 1999), p. 309.

280. H. J. Choi, J. Ihm, Y.-G. Yoon, and S. G. Louie. "Possible explanation for the conductance of a single quantum unit in metallic carbon nanotubes", Phys. Rev. B 60, R14009 (1999).

281. P. L. McEuen, M. Bockrath, D. H. Cobden, Y.-G. Yoon, and S. G. Louie, "Disorder, Pseudospins, and Backscattering in Carbon Nanotubes", Phys. Rev. Lett. 83, 5098 (1999).

282. B. G. Pfrommer, F. Mauri, and S. G. Louie, "NMR Chemical Shifts of Ice and Liquid Water: The Effects of Condensation", J. Am. Chem. Soc. 122, 123 (1999).

283. A. Zettl, C. Piskoti, J.C. Grossman, M.L. Cohen, and S.G. Louie. "Effect of Alkali Doping on the Structural Stability of Solid C36", in AIP Conference Proceedings (no. 486), Electronic Properties of Novel Materials - Science and Technology of Molecular Nanostructures (13th International Winterschool, Kirchberg, Austria, 27 Feb.-6 March 1999) p. 183.

284. J. C. Grossman, W. A. Lester, and S. G. Louie, "Quantum Monte Carlo and density functional theory characterization of 2-cyclopentenone and 3-cyclopentenone formation from O(P-3) plus cyclopentadiene", J. Am. Chem. Soc. 122, 705 (2000).

285. M. L. Cohen, S. G. Louie, and A. Zettl, "Random Access of Nanodevices", Solid State Comm 113, 549 (2000).

286. H. J. Choi, J. Ihm, S. G. Louie, and M. L. Cohen, "Defects, Quasibound States, and Quantum Conductance in Metallic Carbon Nanotubes", Phys. Rev. Lett. 84, 2917 (2000).

287. M. S. Fuhrer, J. Nygard, L. Shih, M. Forero, Y.-G. Yoon, M. S. C. Mazzoni, H. J. Choi, J. Ihm, S. G. Louie, A. Zettl, and P. L. McEuen, "Crossed Nanotube Junctions", Science 288, 494 (2000).

288. J. C. Grossman, C. Piskoti, S. G. Louie, M. L. Cohen, and A. Zettl, "Molecular and Solid C36", in Fullerenes: Chemistry, Physics, and Technology , edited by K.M. Kadish and R.S. Ruoff (John Wiley & Sons, Inc., 2000), p. 887.

289. X. Blase, K. Lin, A. Canning, S. G. Louie, and D. C. Chrzan "Structure and Energy of the 90deg Partial Dislocation in Diamond: A Combined Ab Initio and Elasticity Theory Analysis", Phys. Rev. Lett. 84, 5780 (2000).

290. S.G. Louie, "Electronic Structure of Carbon and Boron-Carbon-Nitrogen Nanotubes", in Fullerene-Based and Fullerene-Related Materials, ed. W. Andreoni (Kluwer, Dordrecht, 2000), p. 381.

291. S.-H. Jhi, S. G. Louie, and M. L.Cohen, "Electronic Properties of Oxidized Carbon Nanotubes", Phys. Rev. Lett. 85, 1710 (2000).

292. F. Mauri, A. Pasquarello, B. G. Pfrommer, Y.-G. Yoon, and S. G. Louie, "Si-O-Si bond-angle distribution in vitreous silica from first-principles 29Si NMR analysis", Phys. Rev. B 62, R4786 (2000).

293. M. Rohlfing and S. G. Louie, "Electron-hole excitations and optical spectra from first principles", Phys. Rev. B 62, 4927 (2000).

294. E. K. Chang, M. Rohlfing, and S. G. Louie, "Excitons and Optical Properties of alpha -Quartz", Phys Rev. Lett. 85, 2613 (2000).

295. K. Bradley, S.H. Jhi, P.G. Collins, J. Hone, M.L. Cohen, S.G. Louie, A. Zettl, "Is the Intrinsic Thermoelectric Power of Carbon Nanotubes Positive?", Phys. Rev. Lett. 85, 4361 (2000).

296. E.K. Chang, M. Rohlfing, and S.G. Louie, "First-Principles Study of Optical Excitations in Alpha-Quartz", in The Optical Properties of Materials, MRS Symp. Proceed. Vol. 579, eds. E.L. Shirley, J.R. Chelikowsky, S.G. Louie, and G. Martinez (Materials Research Society, Warrendale, 2000), p. 3.

297. S.Ogut, J.R. Chelikowsky, and S.G. Louie, "Optical Properties of Silicon Nanocrystals: A First Principles Study", The Optical Properties of Materials, MRS Symp. Proceed. Vol. 579, eds. E.L. Shirley, J.R. Chelikowsky, S.G. Louie, and G. Martinez (Materials Research Society, Warrendale, 2000), p. 81.

298. P. H. Zhang, V.H. Crespi, E. Chang, S.G. Louie, and M.L. Cohen, "Computational Design of Direct-Bandgap Semiconductors that Lattice-Match Silicon", Nature 409, 69 (2001).

299. M. Rohlfing, M.L. Tiago, and S.G. Louie, "First-principles Calculation of Optical Absorption Spectra in Conjugated Polymers: Role of Electron-hole Interaction", Synthetic Metals 116, 101 (2001).

300. J.C. Grossman, M. Rohlfing, L. Mitas, S.G. Louie, and M.L. Cohen, "High Accuracy Many-Body Calculational Approaches for Excitations in Molecules", Phys. Rev. Lett. 86, 472 (2001).

301. J. Lei, H. Sun, K.W. Yu, S.G. Louie, and M.L. Cohen, "Image potential states on periodically corrugated metal surfaces", Phys. Rev. B 63, 045408 (2001).

302. Y.-G. Yoon, M.S.C. Mazzoni, H.J. Choi, J. Ihm, and S.G. Louie, "Structural Deformation and Intertube Conductance of Crossed Carbon Nanotube Junctions", Phys. Rev. Lett. 86, 688 (2001).

303. S.G. Louie, "Electron-hole Interaction and Optical Excitations in Solids, Surfaces, and Polymers", in Proceedings of the 3rd Japan-Korea Joint Workshop on First-Principles Electronic Structure Calculations (JK2000), Tsukuba, Japan (2001), p. 77.

304. G.-M. Rignanese, X. Blase, and S.G. Louie, "Quasiparticle Effects on Tunneling Currents: A Study of C2H4 Adsorbed on the Si(001)- (2  x  1) Surface", Phys. Rev. Lett. 86, 2110 (2001).

305. S. Ishii, K. Ohno, Y. Kawazoe, and S.G. Louie, "Ab initio GW quasiparticle energies of small sodium clusters by an all-electron mixed-basis approach", Phys. Rev. B 63, 155104 (2001).

306. S.-H. Jhi, S.G. Louie, M.L. Cohen, and J. Ihm "Vacancy Hardening and Softening in Transition Metal Carbides and Nitrides", Phys. Rev. Lett. 86, 3348 (2001).

307. M.L. Tiago, E.K. Chang, M. Rohlfing, and S.G. Louie, "Ab Initio Study of Optical Absorption Spectra of Semiconductors and Conjugated Polymers", in Proceedings of 25th International Conference on the Physics of Semiconductors, eds. N. Miura and T. Ando (Springer-Verlag, Berlin, 2001), p.79.

308. Y.-H. Kim, K.J. Chang, and S.G. Louie, "Band-gap Modification by Radial Deformation in C, BN, and BC3 Nanotubes", in Proceedings of 25th International Conference on the Physics of Semiconductors, eds. N. Miura and T. Ando (Springer-Verlag, Berlin, 2001), p. 1645.

309. Y.-H. Kim, K.J. Chang, and S.G. Louie, "Electronic structure of radially deformed BN and BC3 nanotubes", Phys. Rev. B. 63, 205408 (2001).

310. S.G. Louie, "Ab Initio Study of Optical Excitations: Role of Electron-hole Interaction", in Conference Proceedings (no. 577), Density Functional Theory and Its Appl. to Materials, eds. V.E. Van Doren, K. Van Alsenoy, and P. Geerlings (American Institute of Physics, Melville, N.Y. 2001), p. 151.

311. S.G. Louie, "Electronic Properties, Junctions, and Defects of Carbon Nanotubes", in Carbon Nanotubes, Topics in Applied Physics 80, eds. M.S. Dresselhaus, G. Dresselhaus, and P. Avouris (Springer-Verlag, Heidelberg, 2001), p. 113.

312. S.-H. Jhi, S.G. Louie, M.L. Cohen, and J.W. Morris, Jr., "Mechanical Instability and Ideal Shear Strength of Transition Metal Carbides and Nitrides", Phys. Rev. Lett. 87, 075503 (2001).

313. S. Ismail-Beigi, E.K. Chang, and S.G. Louie, "Coupling of Nonlocal Potentials to Electromagnetic Fields", Phys. Rev. Lett. 87, 087402 (2001).

314. H. Sun, S.-H. Jhi, D. Roundy, M.L. Cohen, and S.G. Louie, "Structural forms of cubic BC2N ", Phys. Rev. B 64, 094108 (2001).

315. Y.-G. Yoon and S.G. Louie, "Electronic Structure and Quantum Conductance of Carbon Nanotubes", in Nanostructured Carbon for Advanced Applications, eds G. Benedek et al (Kluwer,Dordrecht, 2001), p. 233.

316. E.K. Chang, X. Blase, and S.G. Louie, "Quasiparticle band structure of lanthanum hydride", Phys. Rev. B 64, 155108 (2001).

317. S.G. Louie, "Electronic Structure and Quantum Conductance of Nanotube Structures: Defects, Crossed-Tube Junctions, and Nanopeapods", in Nanonetwork Materials: Fullerenes, Nanotubes, and Related Systems, ed. S. Saito et al, American Institute of Physics, 101 (2001).

318. C.D. Spataru, M.A. Cazalilla, A. Rubio, L.X. Benedict, P.M. Echenique, and S.G. Louie, "Anomalous Quasiparticle Lifetime in Graphite: Band Structure Effects", Phys. Rev. Lett. 87, 246405 (2001).

319. P. H. Zhang, V.H. Crespi, E. Chang, S. G. Louie, and M.L. Cohen, "Theory of metastable group-IV alloys formed from CVD precursors", Phys. Rev. B 64, 235201 (2001).

320. J.C. Grossman, M.E. Colvin, N.L. Tran, S.G. Louie, and M.L. Cohen, "Aromaticity and Hydrogenation Patterns in Highly Strained Fullerenes", Chem. Phys. Lett. 356, 247 (2002).

321. S. Ishii, K. Ohno, Y. Kawazoe, and S.G. Louie, "Ab initio GW quasiparticle calculation of small alkali-metal clusters", Phys. Rev. B 65, 245109 (2002).

322. B. Sadigh, T.J. Lenosky, M.-J. Caturla, A.A. Quong, L.X. Benedict, T. Diaz de la Rubia, M.M. Giles, M. Foad, C.D. Spataru, and S.G. Louie, "Large Enhancement of Boron Solubility in Silicon Due to Biaxial Stress", Appl. Phys. Lett. 80, 4738 (2002).

323. H.J. Choi, D. Roundy, H. Sun, M.L. Cohen, and S.G. Louie, "The Origin of the Anomalous Superconducting Properties of MgB2" Nature 418, 758 (2002).

324. J.-L. Li, G.-M. Rignanese, E.K. Chang, X. Blase, and S.G. Louie, "GW study of the metal-insulator transition of bcc hydrogen", Phys. Rev. B 66, 035102 (2002).

325. H.J. Choi, D. Roundy, H. Sun, M.L. Cohen, and S.G. Louie, "First-principles calculation of the superconducting transition in MgB2 within the anisotropic Eliashberg formalism", Phys. Rev. B 66, 020513 (2002).

326. Y.-G. Yoon, P. Delaney, and S.G. Louie, "Quantum conductance of multiwall carbon nanotubes", Phys. Rev. B 66, 073407 (2002).

327. S.-H. Jhi, S.G. Louie, and M.L. Cohen, "Electronic Properties of Bromine-Doped Carbon Nanotubes", Solid State Communications 123, 495 (2002).

328. L.X. Benedict, C.D. Spataru, and S.G. Louie, "Quasiparticle properties of a simple metal at high electron temperatures", Phys. Rev. B 66, 085116 (2002).

329. J.E. Northrup, M.L. Tiago, and S.G. Louie, "Surface energetics and growth of pentacene", Phys. Rev B 66, 121404 (2002).

330. W. D. Luo, S. Ismail-Beigi, M.L. Cohen, and S.G. Louie, "Quasiparticle band structure of ZnS and ZnSe", Phys. Rev. B 66, 195215 (2002).

331. V. Madhavan, T. Jamneala, K. Nagaoka, W. Chen, J.L. Li, S.G. Louie, and M.F. Crommie, "Observation of spectral evolution during the formation of a Ni2 Kondo molecule", Phys. Rev. B 66, 212411 (2002).

332. H.J. Choi, D. Roundy, H. Sun, M.L. Cohen, and S.G. Louie, "Superconductivity of MgB2 from First-Principles", CIMTEC 2002-3rd Forum on New Materials, 2nd International Conference "Computational Modelling and Simulation of Materials", eds. P. Vincenzini, A Lami (Techna, 2003), p. 15.

333. S. Ismail-Beigi and S.G. Louie, "Excited-State Forces within a First-Principles Green's Function Formalism", Phys. Rev. Lett. 90, 076401 (2003).

334. H.J. Choi, M.L. Cohen, and S.G. Louie, "Anisotropic Eliashberg Theory of MgB2: Tc, Isotope Effects, Superconducting Energy Gaps, Quasiparticles, and Specific Heat", Physica C 385, 66 (2003).

335. X. H. Lu, M. Grobis, K.H. Khoo, S.G. Louie, and M.F. Crommie, "Spatially Mapping the Spectral Density of a Single C60 Molecule", Phys. Rev. Lett. 90, 096802 (2003).

336. J.A. Alford, M.Y. Chou, E.K. Chang, and S.G. Louie, "First-principles studies of quasiparticle band structures of cubic YH3 and LaH3 ", Phys. Rev. B 67, 125110 (2003).

337. M.L. Tiago, J.E. Northrup, and S.G. Louie, "Ab initio calculation of the electronic and optical properties of solid pentacene", Phys. Rev. B 67 115212 (2003).

338. W.L. Yang, V. Brouet, X.J. Zhou, H.J. Choi, S.G. Louie, M.L. Cohen, S.A. Kellar, P.V. Bogdanov, A. Lanzara, A. Goldoni, F. Parmigiani, Z. Hussain, and Z.-X. Shen, "Band Structure and Fermi Surface of Electron-Doped C60 Monolayers", Science 300, 303 (2003).

339. M. Cardona, M.L. Cohen, and S.G. Louie, "Leopoldo Maximo Falicov 1933-1995", Biographical Memoirs 83, The National Academy Press, Washington, D.C. (2003), p. 3.

340. S.G. Louie, "Recollections of Walter Kohn", Walter Kohn: Personal Stories and Anecdotes Told by Friends and Collaborators, eds. M. Scheffler, P. Weinberger (Springer-Verlag, 2003), p. 138.

341. Y.G. Yoon, M.S.C. Mazzoni, and S.G. Louie, "Quantum Conductance of Carbon Nanotube Peapods", Appl. Phys. Lett. 83, 5217 (2003).

342. M. Grobis, X. H. Lu, K. H. Khoo, S.G. Louie, and M.F. Crommie, "Energy Resolved Imaging of  Fullerene Molecular Orbitals", AIP Conference Proceedings 696, Issue 1 (2003), p.20.

343. H. Sun, F.J. Ribeiro, J.-L. Li, D. Roundy, M.L. Cohen, and S.G. Louie, "Ab initio pseudopotential studies of equilibrium lattice structures and phonon modes of bulk BC3 ", Phys. Rev B 69, 024110 (2004).

344. H. J. Choi, D. Roundy, H. Sun, M. L. Cohen, and S. G. Louie, Reply to "Comment on `First-principles calculation of the superconducting transition in MgB2 within the anisotropic Eliashberg formalism' ", Phys. Rev. B 69, 056502 (2004).

345. C.D. Spataru, S. Ismail-Beigi, L.X. Benedict, and S.G. Louie, "Excitonic Effects and Optical Spectra of Single-Walled Carbon Nanotubes", Phys. Rev. Lett. 92, 077402 (2004).

346. C.D. Spataru, S. Ismail-Beigi, L.X. Benedict, and S.G. Louie, "Quasiparticle Energies, Excitonic Effects and Optical Absorption Spectra of Small-diameter Single-walled Carbon Nanotubes", Appl. Phys. A 78, 1129 (2004).

347. M. L. Tiago, S. Ismail-Beigi, and S. G. Louie, Effect of semicore orbitals on the electronic band gaps of Si, Ge, and GaAs within the GW approximation, Phys. Rev. B 69, 125212 (2004).

348. K. H. Khoo, M. S. C. Mazzoni, and S. G. Louie, Tuning the electronic properties of boron nitride nanotubes with transverse electric fields: A giant dc Stark effect, Phys. Rev. B 69, 201401 (2004)

349. C. D. Spataru, L. X. Benedict, and S. G. Louie, Ab initio calculation of band-gap renormalization in highly excited GaAs, Phys. Rev. B 69, 205204 (2004).

350. S. Saito, K. Umemoto, S. G. Louie, and M. L. Cohen, "Energetics and structural stability of Cs3C60", Solid State Commun. 130, 335 (2004).

351. Y.-G. Yoon, B. G. Pfrommer, S. G. Louie, and A. Canning, "NMR chemical shifts in amino acids: effects of environments in the condensed phase", Solid State Commun. 131, 15 (2004). 

352. P. Tangney, S. G. Louie, and M. L. Cohen,"Dynamic Sliding Friction between Concentric Carbon Nanotubes", Phys. Rev. Lett. 93, 065503 (2004).

353. P. H. Zhang, W. D. Luo, V. H. Crespi, M. L. Cohen, and S. G. Louie, "Doping effects on the electronic and structural properties of CoO2 : An LSDA+U study", Phys. Rev. B 70, 085108 (2004).

354. X. H. Lu, M. Grobis, K. H. Khoo, S. G. Louie, and M. F. Crommie, "Charge transfer and screening in individual C60 molecules on metal substrates: A scanning tunneling spectroscopy and theoretical study", Phys. Rev. B 70, 115418 (2004).

355. R. B. Capaz, C. D. Spataru, P. Tangney, M. L. Cohen, and S. G. Louie, "Hydrostatic pressure effects on the structural and electronic properties of carbon nanotubes", phys. stat. sol. (b) 241, 3352 (2004).

356. M. Ishigami, H. J. Choi, S. Aloni, S. G. Louie, M. L. Cohen, and A. Zettl, "Identifying Defects in Nanoscale Materials", Phys. Rev. Lett. 93, 196803 (2004).

357. V. Brouet, W. L. Yang, X. J. Zhou, H. J. Choi, S. G. Louie, M. L. Cohen, A. Goldoni, F. Parmigiani, Z. Hussain, and Z. X. Shen, "Orientation-Dependent C60 Electronic Structures Revealed by Photoemission Spectroscopy", Phys. Rev. Lett. 93, 197601 (2004).

358. M. L. Tiago, M. Rohlfing, and S. G. Louie, "Bound excitons and optical properties of bulk trans-polyacetylene", Phys. Rev. B 70, 193204 (2004).

359. A. Trave, F. J. Ribeiro, S. G. Louie, and M. L. Cohen, "Energetics and structural characterization of C60 polymerization in BN and carbon nanopeapods", Phys. Rev. B 70, 205418 (2004).

360. P. H. Zhang, W. D. Luo, M. L. Cohen, and S. G. Louie,"Fermi Surface of NaxCoO2", Phys. Rev. Lett. 93, 236402 (2004).

361. W. D. Luo, W. Duan, S. G. Louie, and M. L. Cohen, "Structural and electronic properties of n -doped and p -doped SrTi O3 ", Phys. Rev. B 70, 214109 (2004).

362. R. B. Capaz, C. D. Spataru, P. Tangney, M. L. Cohen, and S. G. Louie, "Temperature Dependence of the Band Gap of Semiconducting Carbon Nanotubes", Phys. Rev. Lett. 94, 036801 (2005).

363. M.L. Tiago, S. Ismail-Beigi, and S.G. Louie, "Photoisomerization of Azobenzene from First-Principles Constrained Density-Functional Calculations," J. Chem. Phys. 122, 094311 (2005).

364. M. Grobis, K.H. Khoo, R. Yamachika, X Lu, K. Nagaoka, S.G. Louie, M.F. Crommie, H. Kato and H. Shinohara, "Spatially Dependent Inelastic Tunneling in a Single Metallofullerene," Phys. Rev. Lett 94, 136802 (2005).

365. P.H. Zhang, R.B. Capaz, M. L. Cohen, and S.G. Louie, "Theory of Sodium Ordering in NaxCoO2," Phys. Rev. B 71, 153102 (2005).

366. S.Y. Zhou, G-H. Gweon, C.D. Spataru, J. Graf, D.-H. Lee, S.G. Louie and A. Lanzara, "Coexistence of Sharp Quasiparticle Dispersion and Disorder Features in Graphite," Phys. Rev. B 71, 161403 (2005).

367. S.-H. Jhi, D. J. Roundy, S. G. Louie, and M. L. Cohen, "Formation and Electronic Properties of Double-Walled Boron Nitride Nanotubes," Solid State Communications 134, 397 (2005).

368. P.H. Zhang, S.G. Louie, and M.L. Cohen, "Nonlocal Screening, Electron-Phonon coupling, and Phonon Renormalization in Metals," Phys. Rev. Lett. 94, 225502 (2005).

369. J.L. Li, G.M. Rignanese, and S.G. Louie, "Quasiparticle Energy Bands of NiO in the GW Approximation," Phys. Rev B 71, 193102 (2005).

370. R.B. Capaz, C.D. Spataru, P. Tangney, M.L. Cohen, and S.G. Louie, "Temperature and hydrostatic pressure effects on the band gap of semiconducting carbon nanotubes," 27th Conference on the Physics of Semiconductors, AIP Conference  Proceedings  772 1047 (2005).

371. C.D. Spataru, S. Ismail-Beigi, L.X. Benedict, and S.G. Louie, "Excitonic Effects and Optical Spectra of Single-Walled Carbon Nanotubes," 27th Conference on the Physics of Semiconductors, AIP Conference Proceedings 772 1061 (2005).

372. S.G. Louie and A. Rubio, "Quasiparticle and Optical Properties of Solids and Nanostructures: The GW-BSE Approach," Handbook of Materials Modeling, ed. S. Yip (Springer, Dordrecht, The Netherlands, 2005), p. 215

373. J. B. Neaton, K. H. Khoo, C. D. Spataru, and S. G. Louie, "Electron Transport and Optical Properties of Carbon Nanostructures from First Principles," Computer Phys. Comm. 169, 1 (2005).

374. F. J. Ribeiro, J. B. Neaton, S. G. Louie, and M. L. Cohen, "Mechanism for Bias-assisted Indium Mass Transport on Carbon Nanotube Surfaces," Phys. Rev. B 72, 075302 (2005).

375. M. Grobis, K.H. Khoo, R. Yamachika, X. Lu, K. Nagaoka, S.G. Louie, H. Kato, H. Shinohara, and M.F. Crommie, "Spatially Dependent Inelastic Tunneling in Gd@C82," XIX International Winterschool/Euroconference on Electronic Properties of Novel Materials, AIP Conference  Proceedings 786, 8 (2005).

376. R.B. Capaz, C.D. Spataru, P. Tangney,  M.L. Cohen, and S.G. Louie, "Family behavior of the pressure and temperature dependences of  the band gap of semiconducting carbon nanotubes,? XIX International Winterschool/Euroconference on Electronic Properties of Novel Materials, AIP Conference  Proceedings 786, 411 (2005).    

377. S. Ismail-Beigi and S.G. Louie, "Self-Trapped Excitons in Silicon Dioxide:  Mechanism and Properties," Phys. Rev. Lett. 95, 156401 (2005).

378. A. Wachowiak, R. Yamachika, K.H. Khoo, Y Wang, M. Grobis, D.-H. Le, S.G. Louie, and M.F. Crommie, "Visualization of the Molecular Jahn-Teller Effect in an Insulating K4C60 Monolayer, "Science 310, 468 (2005).

379. P.T. Tangney, R.B. Capaz, C.D. Spataru, M.L. Cohen, and S.G. Louie, "Structural Transformations of Carbon Nanotubes under Hydrostatic Pressure," Nano Lett. 5, 2268 (2005).

380. Y.-W. Son, J. Ihm, M.L. Cohen, S.G. Louie, and H.J. Choi, "Electrical Switching in Metallic Carbon Nanotubes," Phys. Rev. Lett. 95, 216602 (2005).

381. S.-H. Jhi, S.G. Louie, and M.L. Cohen, "Reentrant Semiconducting Behavior of Zigzag Carbon Nanotubes at Substitutional Doping by Oxygen Dimers," Phys. Rev. Lett. 95, 226403 (2005).

382. C.D. Spataru, S. Ismail-Beigi, R.B. Capaz, and S.G. Louie, "Theory and Ab Initio Calculation of Radiative Lifetime of Excitons in Semiconducting Carbon Nanotubes," Phys. Rev. Lett. 95, 247402 (2005).

383. F.J. Ribeiro, P. Tangney, S.G. Louie, and M.L. Cohen, "Structural and Electronic Properties of Carbon in Hybrid Diamond-graphite Structures," Phys. Rev. B 72, 214109 (2005)

384. S.B. Cronin, Y. Yin, A. Walsh, R.B. Capaz, A. Stolyarov, P. Tangney, M.L. Cohen, S.G. Louie, A.K. Swan, M.S. Unlu, B.B. Goldberg, and M. Tinkham, "Temperature Dependence of the Optical Transition Energies of Carbon Nanotubes: The Role of Electron-Phonon Coupling and Thermal Expansion," Phys. Rev. Lett. 96, 127403 (2006).

385. H.J. Choi, M.L. Cohen, and S.G. Louie, "Anisotropic Eliashberg Theory and the Two-Band Model for the Superconducting Properties of MgB2," Phys. Rev. B 73, 104520 (2006).

386. C.H. Park, C.D. Spataru, and S.G. Louie, "Excitons and Many-Electron Effects in the Optical Response of Single-Walled Boron Nitride Nanotubes," Phys. Rev. Lett. 96, 126105 (2006).

387. E.B. Barros, R.B. Capaz, A. Jorio, G.G. Samsonidze, A.G. Souza Filho, S. Ismail-Beigi, C.D. Spataru, S.G. Louie, G. Dresselhaus, and M.S. Dresselhaus, "Selection Rules for One- and Two-Photon Absorption by Excitons in Carbon Nanotubes," Phys. Rev. B 73, 241406 (2006).

388. S.Y. Quek, J.B. Neaton, M.S. Hybertsen, E. Kaxiras, and S.G. Louie, "First-principles Studies of the Electronic Structure of Cyclopentene on Si(001): Density Functional Theory and GW Calculations," Phys. Status Solidi (b) 243, 2048 (2006).

389. Y.Z. Ma, C.D. Spataru, L. Valkunas, S.G. Louie, and G.R. Fleming, “Spectroscopy of Zigzag Single-Walled Carbon Nanotubes: Comparing Femtosecond Transient Absorption Spectra with Ab Initio Calculations," Phys. Rev. B 74, 085402 (2006).

390. S.Y. Zhou, G.-H. Gweon, J. Graf, A.V. Fedorov, C.D. Spataru, R.D. Diehl, Y. Kopelevich, D.-H. Lee, S.G. Louie, and A. Lanzara, "First Direct Observation of Dirac Fermions in Graphite," Nature Physics 2, 595 (2006).

391. S.G. Louie, "Predicting Materials and Properties: Theory of the Ground and Excited State," Conceptual Foundations of Materials: A Standard Model for Ground- and Excited-State Properties, vol. eds., S.G. Louie, M.L. Cohen (Elsevier, Amsterdam, 2006) p. 9.

392. R.B. Capaz, C.D. Spataru, S. Ismail-Beigi, and S.G. Louie, "Diameter and Chirality Dependence of Exciton Properties in Carbon Nanotubes," Phys. Rev. B 74, 121401 (2006).

393. F. J. Ribeiro, P. Tangney, S. G. Louie and M. L. Cohen, "Hypothetical Hard Structures of Carbon with Cubic Symmetry," Phys. Rev. B 74, 172101 (2006).

394. P. Tangney, M. L. Cohen, and S. G. Louie, "Giant Wave-Drag Enhancement of Friction in Sliding Carbon Nanotubes," Phys. Rev. Lett. 97, 195901 (2006).

395. Y.-W. Son, M. L. Cohen, and S. G. Louie, "Half-Metallic Graphene Nanoribbons," Nature 444, 347 (2006).

396. J.B. Neaton, M.S. Hybertsen, and S.G. Louie, "Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces," Phys. Rev. Lett. 97, 216405 (2006).

397. Y.-W. Son, M.L. Cohen, and S.G. Louie, "Energy Gaps in Graphene Nanoribbons," Phys. Rev. Lett. 97, 216803 (2006).

398. T. Miyake, P.H. Zhang, M.L. Cohen, and S.G. Louie, "Quasiparticle Energy of Semicore d-electrons in ZnS: Combined LDA+U and GW approach," Phys. Rev. 74, 245213 (2006).

399. F. Giustino, J.R. Yates, I. Souza, M.L. Cohen, and S.G. Louie, "Electron-Phonon Interaction via Electron and Lattice Wannier Functions: Superconductivity in Boron-Doped Diamond Reexamined," Phys. Rev. Lett. 98, 047005 (2007).

400. I.H. Choi, P.Y. Yu, P. Tangney, and S.G. Louie, "Vibrational Properties of Single Walled Carbon Nanotubes Under Pressure from Raman Scattering Experiments and Molecular Dynamics," Phys. Status Sol. (b) 244, 121 (2007).

401. S.Y. Quek, J.B. Neaton, M.S. Hybertsen, E. Kaxiras, and S.G. Louie, "Negative Differential Resistance in Transport through Organic Molecules on Silicon," Phys. Rev. Lett 98, 066807 (2007).

402. P. Zhang, S.G. Louie, and M.L. Cohen, "Electron-Phonon Renormalization in Cuprate Superconductors," Phys. Rev. Lett. 98, 067005 (2007).

403. S. Saito, S.G. Louie, and M.L. Cohen, "Site Selectivities of Alkali Ions in CsRb2C60 and Cs2RbC60 Superconductors," Solid State Comm. 142, 186 (2007).

404. S. Saito, S.G. Louie, and M.L. Cohen, "Electronic Structure and Energetics of MgB2 Nanotube," J. Phys. Soc. Japan 76, 043707 (2007).

405. L. Yang, C. D. Spataru, S. G. Louie, and M. Y. Chou, "Enhanced Electron-hole Interaction and Optical Absorption in a Silicon Nanowire," Phys. Rev. B 75, 201304 (2007).

406. J. Deslippe, C.D. Spataru, D. Prendergast, and S.G. Louie, "Bound Excitons in Metallic Single-walled Carbon Nanotubes," Nano Letters 7, 1626 (2007).

407. M.J. Comstock, N. Levy, A. Kirakosian, J. Cho, F. Lauterwasser, J.H. Harvey, D.A. Strubbe, J.M.J. Frechet, D. Trauner, S.G. Louie, and M.F. Crommie, "Reversible Photomechanical Switching of Individual Engineered Molecules at a Metallic Surface," Phys. Rev. Lett. 99, 038301 (2007).

408. Y.Y. Wang, R. Yamachika, A. Wachowiak, S.G. Louie, and M.F. Crommie, "Novel Orientational Ordering and Reentrant Metallicity in KxC60 Monolayers for 3 x 5," Phys. Rev. Lett. 99, 086402 (2007).

409. C.-H. Park, F. Giustino, M.L. Cohen, and S.G. Louie, "Velocity Renormalization and Carrier Lifetime in Graphene from the Electron-Phonon Interaction," Phys. Rev. Lett. 99, 086804 (2007).

410. H. J. Choi, M. L. Cohen, and S. G. Louie, "First-Principles Scattering-State Approach for Nonlinear Electrical Transport in Nanostructures," Phys. Rev. B 76, 155420 (2007).

411. F. Giustino, M.L. Cohen, and S.G. Louie, "Electron-Phonon Interaction Using Wannier Functions," Phys. Rev. B 76, 165108 (2007).

412. L. Yang, M.L. Cohen, and S.G. Louie, "Excitonic Effects in the Optical Spectra of Graphene Nanoribbons," Nano Letters 7, 3112 (2007).

413. S.Y. Quek, L. Venkatarman, H.J. Choi, S.G. Louie, M.S. Hybertsen, and J.B. Neaton, "Amine-Gold Linked Single-Molecule Circuits: Experiment and Theory," Nano Lett. 7, 3477 (2007).

414. L. Yang, C.H. Park, Y.-W. Son, M.L. Cohen, and S.G. Louie, "Quasiparticle Energies and Band Gaps of Graphene Nanoribbons," Phys. Rev. Lett. 99, 186801 (2007).

415. Y.-W. Son, M.L. Cohen, and S.G. Louie, "Electric Field Effects on Spin Transport in Defective Metallic Carbon Nanotubes," Nano Letters 7, 3518 (2007).

416. R.B. Capaz, C.D. Spataru, S. Ismail-Beigi, and S.G. Louie, "Excitons in Carbon Nanotubes: Diameter and Chirality Trends," Phys. Stat. Sol. (b) 244, 4016 (2007).

417. F. Wang, D.J. Cho, B. Kessler, J. Deslippe, P.J. Schuck, S.G. Louie, A. Zettl, T.F. Heinz, and Y.R. Shen, "Observation of Excitons in One-Dimensional Metallic Single-Walled Carbon Nanotubes," Phys. Rev. Lett. 99, 227401 (2007).

418. L. Kong, J.R. Chelikowsky, J.B. Neaton, and S.G. Louie, "Real-space Pseudopotential Calculations of Spin-dependent Electron Transport in Magnetic Molecular Junctions," Phys. Rev. B 76, 235422 (2007).

419. B. Lee, L.-W. Wang, C.D. Spataru, and S G. Louie, "Nonlocal Exchange Correlation in Screened-exchange Density Functional Methods," Phys. Rev. B 76, 245114 (2007).

420. C.D. Spataru, S. Ismail-Beigi, R.B. Capaz, and S.G. Louie, "Quasiparticle and Excitonic Effects in the Optical Response of Nanotubes and Nanoribbons," in Carbon Nanotubes: Advanced Topics in the Synthesis, Structure, Properties and Applications, A. Jorio, M. S. Dresselhaus, G. Dresselhaus (eds.), Topics in Applied Physics 111 (Springer-Verlag, Heidelberg, Germany, 2008), p. 195.

421. Y.Y. Wang, E. Kioupakis, X. Lu, D. Wegner, R. Yamachika, J.E. Dahl, R.M.K. Carlson, S.G. Louie, and M.F. Crommie, "Spatially Resolved Electronic and Vibronic Properties of Single Diamondoid Molecules," Nature Mater. 7, 38 (2008).

422. J. Deslippe and S.G. Louie, "Excitons and Many-electron Effects in the Optical Response of Carbon Nanotubes and Other One-dimensional Nanostructures," Proc. SPIE 6892, 68920U-1 (2008).

423. P. Zhang, S. Saito, S.G. Louie, and M.L. Cohen, "Theory of the Electronic Structure of Alternating MgB2 and Graphene Layered Structures," Phys. Rev. B 77, 052501 (2008).

424. C.-H. Park, L. Yang, Y.-W. Son, M.L. Cohen, and S.G. Louie, "Anisotropic Behaviours of Massless Dirac Fermions in Graphene Under Periodic Potentials," Nature Physics 4, 213 (2008).

425. C.-H. Park, F. Giustino, J.L. McChesney, A. Bostwick, T. Ohta, E. Rotenberg, M.L. Cohen, and S.G. Louie, "Van Hove Singularity and Apparent Anisotropy in the Electron-phonon Interaction in Graphene," Phys. Rev. B 77, 113410 (2008).

426. K.H. Khoo, J.B. Neaton, H.J. Choi, and S.G. Louie, "Contact Dependence of the Conductance of H2 Molecular Junctions from First Principles," Phys. Rev. B 77, 115326 (2008).

427. Y.M. Byun, H.J. Choi, S.G. Louie, and M.L. Cohen, "Low-energy Structures of K Atoms in Expanded K3C60 Monolayers: Ab Initio Pseudopotential Density-functional Calculations," Phys. Rev. B 77, 115418 (2008).

428. E. Kioupakis, P. H. Zhang, M. L. Cohen, and S. G. Louie, "GW Quasiparticle Corrections to the LDA+U/GGA+U Electronic Structure of bcc Hydrogen," Phys. Rev. B 77, 155114 (2008).

429. F. Giustino, M.L. Cohen, and S.G. Louie, "Small Phonon Contribution to the Photoemission Kink in the Copper Oxide Superconductors," Nature 452, 975 (2008).

430. J. Noffsinger, F. Giustino, S. G. Louie, and M. L. Cohen, "First-principles Study of Superconductivity and Fermi-surface Nesting in Ultrahard Transition Metal Carbides," Phys. Rev. B 77, 180507 (2008).

431. J.D. Sau, J.B. Neaton, H.J. Choi, S.G. Louie, and M.L. Cohen, "Electronic Energy Levels of Weakly Coupled Nanostructures: C60 Metal Interfaces," Phys. Rev. Lett. 101, 026804 (2008).

432. C.H. Park and S.G. Louie, "Energy Gaps and Stark Effect in Boron Nitride Nanoribbons," Nano Lett. 8, 2200 (2008).

433. G. Kim, S.-H. Jhi, N. Park, S.G. Louie, and M.L. Cohen, "Optimization of Metal Dispersion in Doped Graphitic Materials for Hydrogen Storage," Phys. Rev. B 78, 085408 (2008).

434. K.H. Khoo, J.B. Neaton, Y.W. Son, M.L. Cohen, and S.G. Louie, "Negative Differential Resistance in Carbon Atomic Wire-carbon Nanotube Junctions," Nano Lett. 8>, 2900 (2008).

435. C.-H. Park, Y.-W. Son, L. Yang, M.L. Cohen, and S.G. Louie, "Electron Beam Supercollimation in Graphene Superlattices," Nano Lett. 8, 2920 (2008).

436. C.-H. Park, L. Yang, Y.-W. Son, M.L. Cohen, and S.G. Louie, "New Generation of Massless Dirac Fermions in Graphene under External Periodic Potentials," Phys. Rev. Lett. 101, 126804 (2008).

437. L. Yang, M.L. Cohen, S.G. Louie, "Magnetic Edge-state Excitons in Zigzag Graphene Nanoribbons," Phys. Rev. Lett. 101, 186401 (2008).

438. C.-H. Park, F. Giustino, M.L. Cohen, and S.G. Louie, "Electron-phonon Interactions in Graphene, Bilayer Graphene, and Graphite," Nano Lett. 8, 4229 (2008). [Erratum: Nano Lett. 9, 1731 (2009)]

439. J. B. Neaton, D. Prendergast, S. Whitelam, and S. G. Louie, "Understanding Nanoscale Systems at the Molecular Foundry," SciDAC Review 10, 22 (2008).

440. C.-H. Park, F. Giustino, C.D. Spataru, M.L. Cohen, and S.G. Louie, "First-principles Study of Electron Linewidths in Graphene," Phys. Rev. Lett. 102, 076803 (2009). [Erratum: Phys. Rev. Lett. 102, 189904(E) (2009)]

441. H.J. Choi, S.G. Louie, and M.L. Cohen, "Anisotropic Eliashberg Theory for Superconductivity in Compressed and Doped MgB2," Phys. Rev B 79, 094518 (2009).

442. C.O. Girit, J.C. Meyer, R. Erni, M.D. Rossell, C. Kisielowski, Li Yang, C.-H. Park, M.F. Crommie, M.L. Cohen, S.G. Louie, and A. Zettl, "Graphene at the Edge: Stability and Dynamics," Science 323, 1705 (2009).

443. J. Noffsinger, F. Giustino, S.G. Louie, and M.L. Cohen, "Origin of Superconductivity in Boron-doped Silicon Carbide from First Principles," Phys. Rev B 79, 104511 (2009).

444. J. Deslippe, M. Dipoppa, D. Prendergast, M.V.O. Moutinho, R.B. Capaz, and S.G. Louie, "Electron-hole Interaction in Carbon Nanotubes: Novel Screening and Exciton Excitation Spectra," Nano Lett. 9, 1330 (2009).

445. J. Noffsinger, S.G. Louie, F. Giustino, and M.L. Cohen, "Role of Fluorine in the Iron Pnictides: Phonon Softening and Effective Hole Doping," Phys. Rev. Lett. 102, 147003 (2009).

446. C.D. Spataru, M.S. Hybertsen, S.G. Louie, and A.J. Millis, "GW Approach to Anderson Model out of Equilibrium: Coulomb Blockade and False Hysteresis in the I-V Characteristics," Phys. Rev. B 79, 155110 (2009)

447. S.Y. Quek, M. Kamenetska, M.L. Steigerwald, H.J. Choi, S.G. Louie, M.S. Hybertsen, J.B. Neaton, and L. Venkataraman, "Mechanically Controlled Binary Conductance Switching of a Single-molecule Junction," Nature Nanotechnol. 4, 230 (2009).

448. C.-H. Park and S.G. Louie, "Making Massless Dirac Fermions from a Patterned Two-dimensional Electron Gas," Nano Lett. 9, 1793 (2009).

449. C.-H. Park, Y.-W. Son, L. Yang, M.L. Cohen, and S.G. Louie, "Landau Levels and Quantum Hall Effect in Graphene Superlattices," Phys. Rev. Lett. 103, 046808 (2009).

450. H.J. Choi, S.G. Louie, and M.L. Cohen, "Prediction of Superconducting Properties of CaB2 Using Anisotropic Eliashberg Theory," Phys. Rev. B 80, 064503 (2009).

451. H. Lee, J. Ihm, M.L. Cohen, and S.G. Louie, "Calcium-decorated Carbon Nanotubes for High Capacity Hydrogen Storage," Phys. Rev. B 80, 115412 (2009).

452. L. Yang, J. Deslippe, C.-H. Park, M.L. Cohen, and S.G. Louie, "Excitonic Effects on the Optical Response of Graphene and Bilayer Graphene," Physical Review Lett. 103, 186802 (2009).

453. S.K. Choi, D.-H. Lee, S.G. Louie, and J. Clarke, "Localization of Metal-Induced Gap States at the Metal-Insulator Interface: Origin of Flux Noise in SQUIDs and Superconducting Qubits," Phys. Rev. Lett. 103, 197001 (2009).

454. S.Y. Quek, H.J. Choi, S.G. Louie, and J.B. Neaton, "Length Dependence of Conductance in Aromatic Single-Molecule Junctions," Nano Lett. 9, 3949 (2009).

455. C. Tao, J. Sun, X. Zhang, R. Yamachika, D. Wegner, Y. Bahri, G. Samsonidze, M.L. Cohen, S.G. Louie, T.D. Tilley, R.A. Segalman, and M.F. Crommie, "Spatial Resolution of a Type II Heterojunction in a Single Bipolar Molecule," Nano Lett. 9, 3963 (2009).

456. C.-H. Park, F. Giustino, C.D. Spataru, M.L. Cohen, and S.G. Louie, "Angle-resolved Photoemission Spectra of Graphene from First-principles," Nano Lett. 9, 4234 (2009).

457. D. Prendergast and S.G. Louie, "Bloch-state-based Interpolation: An Efficient Generalization of the Shirley Approach to Interpolating Electronic Structure," Phys. Rev B 80, 235126 (2009).

458. V.W. Brar, S. Wickenburg, M. Panlasigui, C.-H. Park, T.O. Wehling, Y. Zhang, R. Decker, C. Girit, A.V. Balatsky, S.G. Louie, A. Zettl, and M.F. Crommie, "Observation of Carrier-Density-Dependent Many-Body Effects in Graphene via Tunneling Spectroscopy," Phys. Rev. Lett. 104, 036805 (2010).

459. T.-T. Tang, Y. Zhang, C.-H. Park, B. Geng, C. Girit, Z. Hao, M.C. Martin, A. Zettl, M.F. Crommie, S.G. Louie, Y.R. Shen, and F. Wang, "A Tunable Phonon-Exciton Fano System in Bilayer Graphene," Nature Nano. 5, 32 (2010).

460. C.-H. Park and S.G. Louie, "Tunable Excitons in Biased Bilayer Graphene," Nano Lett. 10, 426 (2010).

461. J. L. Janssen, M. Cote, S.G. Louie, and M.L. Cohen, "Electron-Phonon Coupling in C60 Using Hybrid Functionals," Phys. Rev. B 81, 073106 (2010).

462. F. Giustino, M.L. Cohen, and S.G. Louie, "GW Method with the Self-Consistent Sternheimer Equation," Phys. Rev. B 81, 115105 (2010).

463. B.D. Malone, S.G. Louie, and M.L. Cohen, "Electronic and Optical Properties of Body-Centered Tetragonal Si and Ge," Phys. Rev. B 81, 115201 (2010).

464. H.K. Lee, J. Ihm, M.L. Cohen, and S.G. Louie, "Calcium-Decorated Graphene-Based Nanostructures for High-Capacity Hydrogen Storage," Nano Lett. 10, 793 (2010).

465. M.J. Comstock, D.A. Strubbe, L. Berbil-Bautista, N. Levy, J. Cho, D. Poulsen, J. M. J. Frechet, S.G. Louie, and M.F. Crommie, "Determination of Photoswitching Dynamics through Chiral Mapping of Single Molecules Using a Scanning Tunneling Microscope," Phys. Rev. Lett. 104, 178301 (2010).

466. O.V. Yazyev and S.G. Louie, "Topological Defects in Graphene: Dislocations and Grain Boundaries," Phys. Rev. B 81, 195420 (2010).

467. L.Z. Tan, C.-H. Park, and S.G. Louie, "Graphene Dirac Fermions in One-dimensional Inhomogeneous Field Profiles: Transforming Magnetic to Electric Field," Phys. Rev. B 81, 195426 (2010).

468. M. Kamenetska, S.Y. Quek, A.C. Whalley, M.L. Steigerwald, H.J. Choi, S.G. Louie, C. Nuckolls, M.S. Hybertsen, J.B. Neaton, and L. Venkataraman, "Conductance and Geometry of Pyridine-linked Single-molecule Junctions," J. Am. Chem. Soc. 132, 6817 (2010).

469. F.D. Vila, D.A. Strubbe, Y. Takimoto, X. Andrade, A. Rubio, S.G. Louie, and J.J. Rehr, "Basis Set Effects on the Hyperpolarizability of CHCl3: Gaussian-type Orbitals, Numerical Basis Sets and Real-space Grids," J. Chem. Phys. 133, 034111 (2010).

470. G.-S. Do, J. Kim, S.-H. Jhi, C.-H. Park, S.G. Louie, and M.L. Cohen, "Ab Initio Calculations of Pressure-induced Structural Phase Transitions of GeTe," Phys. Rev. B 82, 054121 (2010).

471. B.-C. Shih, Y. Xue, P. Zhang, M.L. Cohen, and S.G. Louie, "Quasiparticle band gap of ZnO: High accuracy from the conventional G0W0 approach," Phys. Rev. Lett. 105, 146401 (2010).

472. O.V. Yazyev and S.G. Louie, "Electronic Transport in Polycrystalline Graphene," Nature Mater. 9, 806 (2010).

473. J. Noffsinger, F. Giustino, B.D. Malone, C.-H. Park, S.G. Louie, and M.L. Cohen, "EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions," Comput. Phys. Comm. 181, 2140 (2010).

474. H.K. Lee, M.L. Cohen, and S.G. Louie, "Selective functionalization of halogens on zigzag graphene nanoribbons: A route to the separation of zigzag graphene nanoribbons," Appl. Phys. Letters 97, 233101 (2010).

475. F. Giustino, S.G. Louie, and M.L. Cohen, "Electron-phonon renormalization of the direct band gap of diamond," Phys. Rev. Lett. 105, 265501 (2010).

476. B.S. Geng, J. Horng, Y.B. Zhang, T.T. Tang, C.-H. Park, C. Girit, Z. Lao, M. Martin, A. Zettl, M.F. Crommie, S.G. Louie, and F. Wang, "Optical Spectroscopy of Bilayer Graphene," Physica Stat. Solidi B 247, 2931 (2010).

477. E. Kioupakis, M.L. Tiago, and S.G. Louie, "Quasiparticle Electronic Structure of Bismuth Telluride in the GW Approximation," Phys. Rev. B 82, 245203 (2010).

478. O.V. Yazyev, J.E. Moore, and S.G. Louie, "Spin Polarization and Transport of Surface States in the Topological Insulators Bi2Se3 and Bi2Te3 from First Principles," Phys. Rev. Lett. 105, 266806 (2010).

479. V.W. Brar, R. Decker, H.-M. Solowan, Y. Wang, L. Maserati, K.T. Chan, H. Lee, C.O. Girit, A Zettl, S.G. Louie, M.L. Cohen, and M.F. Crommie, "Gate-controlled Ionization and Screening of Cobalt Adatoms on a Graphene Surface," Nature Physics 7, 43 (2011).

480. C.-H. Park, L.Z. Tan, and S.G. Louie, "Theory of the Electronic and Transport Properties of Graphene Under a Periodic Electric or Magnetic Field," Physica E 43, 651 (2011).

481. S.Y. Quek, H.J. Choi, S.G. Louie, and J.B. Neaton, "Thermopower of Amine-Gold-linked Aromatic Molecular Junctions from First Principles," ACS Nano 5, 551 (2011).

482. N. Alem, O.V. Yazyev, C. Kisielowski, P. Denes, U. Dahmen, P. Hartel, M. Haider, M. Bischoff, B. Jiang, S.G. Louie, and A. Zettl, "Probing the Out-of-Plane Distortion of Single Point Defects in Atomically Thin Hexagonal Boron Nitride at the Picometer Scale," Phys. Rev. Lett. 106, 126102 (2011).

483. C.-F. Chen, C.-H. Park, B.W. Boudouris, J. Horng, B. Geng, C. Girit, A. Zettl, M.F. Crommie, R.A. Segalman, S.G. Louie, and F. Wang, "Controlling Inelastic Light Scattering Quantum Pathways in Graphene," Nature 471, 617 (2011).

484. H. Oh, H.J. Choi, S.G. Louie, and M.L. Cohen, "Fermi Surfaces and Quantum Oscillations in the Underdoped High-Tc Superconductors YBa2Cu3O6.5 and YBa2Cu4O8," Phys. Rev. B 84, 014518(2011).

485. D.A. Siegel, C.-H. Park, C. Hwang, J. Deslippe, A.V. Federov, S.G. Louie, and A. Lanzara, "Many-body Interactions in Quasi-freestanding Graphene," Proc. Natl. Acad. Sci. U.S.A. 108 11365 (2011).

486. L.Z. Tan, C.-H. Park, and S.G. Louie, "New Dirac Fermions in Periodically Modulated Bilayer Graphene," Nano Lett. 11 2596 (2011).

487. C. Tao, L. Jiao, O.V. Yazyev, Y.-C. Chen, J. Feng, X. Zhang, R.B. Capaz, J.M. Tour, A. Zettl, S.G. Louie, H. Dai, and M.F. Crommie, "Spatially Resolving Edge States of Chiral Graphene Nanoribbons," Nature Physics 7, 616 (2011).

488. H.C. Hsueh, G.Y. Guo, and S.G. Louie, "Excitonic Effects in the Optical Properties of an SiC Sheet and Nanotubes," Phys. Rev. B 84, 85404 (2011).

489. G.P. Zhang, D.A. Strubbe, S.G. Louie, and T.F. George, "First-principles Prediction of Optical Second-order Harmonic Generation in the Endohedral N@C60 Compound," Phys. Rev. A 84, 023837 (2011).

490. S. Blackburn, M. Cote, S.G. Louie, and M.L. Cohen, "Enhanced Electron-phonon Coupling Near the Lattice Instability of Superconducting NbC1-xNx from Density-Functional Calculations," Phys. Rev. B 84, 104506 (2011).

491. C. Hwang, C.-H. Park, D.A. Siegel, A.V. Fedorov, S.G. Louie, and A. Lanzara, "Direct Measurement of Quantum Phases in Graphene via Photoemission Spectroscopy," Phys. Rev. B 84, 125422 (2011).

492. O.V. Yazyev, R.B. Capaz, S.G. Louie, "Theory of Magnetic Edge States in Chiral Graphene Nanoribbons," Phys. Rev. B 84, 115406 (2011).

493. G. Samsonidze, M. Jain, J. Deslippe, M.L. Cohen, and S.G. Louie, "Simple Approximate Physical Orbitals for GW Quasiparticle Calculations, " Phys. Rev. Lett 107, 186404 (2011).

494. G. Samsonidze, M.L. Cohen, and S.G. Louie, "Compensation-doped Silicon for Photovoltaic Applications," Phys. Rev. B 84, 195201 (2011).

495. M. Jain, J.R. Chelikowsky, and S.G. Louie, "Quasiparticle Excitations and Charge Transition Levels of Oxygen Vacancies in Hafnia," Phys. Rev. Lett. 107, 216803 (2011).

496. M. Jain, J.R. Chelikowsky, and S.G. Louie, "Reliability of Hybrid Functionals in Predicting Band Gaps," Phys. Rev. Lett. 107, 216806 (2011).

497. O.V. Yazyev, R.B. Capaz, and S.G. Louie, "One-dimensional Structural Irregularities in Graphene Chiral Edges and Grain Boundaries," J. Physics: Conference Series 302, 012016 (2011).

498. C.-H. Park, F. Giustino, C.D. Spataru, M.L. Cohen, and S.G. Louie, "Inelastic Carrier Lifetime in Bilayer Graphene," Appl. Phys. Lett. 100, 032106 (2012).

499. D.A. Strubbe, L. Lehtovaara, A. Rubio, M.A.L. Marques, and S.G. Louie, "Response Functions in TDDFT: Concepts and Implementation," in Fundamentals of Time-Dependent Density Functional Theory (LNP 837); eds. M.A.L. Marques, N.T. Maitra, F.M.S. Nogueira, E.K.U. Gross, A. Rubio (Springer, Heidelberg, 2012).

500. O.V. Yazyev, E. Kioupakis, J.E. Moore, and S.G. Louie, "Quasiparticle Effects in the Bulk and Surface-state Bands of Bi2Se3 and Bi2Te3 Topological Insulators," Phys. Rev. B 85, 161101 (2012).

501. J. Noffsinger, E. Kioupakis, C.G. Van de Walle, S.G. Louie, and M.L. Cohen, "Phonon-assisted Optical Absorption in Silicon from First Principles," Phys. Rev. Lett. 108, 167402 (2012).

502. K. Liu, J. Deslippe, F. Xiao, R.B. Capaz, X. Hong, S. Aloni, A. Zettl, W. Wang, X. Bai, S.G. Louie, E. Wang, and F. Wang, "An Atlas of Carbon Nanotube Optical Transitions," Nature Nanotech. 7, 325 (2012).

503. J. Deslippe, G. Samsonidze, D.A. Strubbe, M. Jain, M.L. Cohen, and S.G. Louie, "BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures," Comp. Phys. Comm. 183, 1269 (2012).

504. K. Kim, S. Coh, L.Z. Tan, W. Regan, J.M. Yuk, E. Chatterjee, M.F. Crommie, M.L. Cohen, S.G. Louie, and A. Zettl, "Raman Spectroscopy Study of Rotated Double-layer Graphene: Misorientation-angle Dependence of Electronic Structure," Phys. Rev. Lett. 108, 246103 (2012).

505. M. Orlita, L.Z. Tan, M. Potemski, M. Sprinkle, C. Berger, W.A. de Heer, S.G. Louie, and G. Martinez, "Resonant Excitation of Graphene K-Phonon and Intra-Laudau-Level Excitons in Magneto-Optical Spectroscopy," Phys. Rev. Lett. 108, 247401 (2012).

506. X. Andrade, J. Alberdi-Rodriguez, D.A. Strubbe, M.J.T. Oliveira, F. Nogueira, A. Castro, J. Muguerza, A. Arruabarrena, S.G. Louie, A. Aspuru-Guzik, A. Rubio, and M.A.L. Marques, "Time-dependent Density-functional Theory in Massively Parallel Computer Architectures: the OCTOPUS Project," J. Phys. Cond. Mat 24, 233202 (2012).

507. J. Lischner, J. Deslippe, M. Jain, and S.G. Louie, "First-principles Calculations of Quasiparticle Excitations of Open-shell Condensed Matter Systems," Phys. Rev. Lett. 109, 036406 (2012).

508. S.K. Choi, M. Jain, and S.G. Louie, "Mechanism for Optical Initialization of Spin in Center in Diamond," Phys. Rev. B 86, 041202 (2012).

509. L. Song, L. Balicas, D.J. Mowbray, R.B. Capaz, K. Storr, L. Ci, D. Jariwala, S. Kurth, S.G. Louie, A. Rubio, and P.M. Ajayan, "Anomalous Insulator-metal Transition in Boron Nitride-graphene Hybrid Atomic Layers," Phys. Rev. B 86, 075429 (2012).

510. C.-H. Park and S.G. Louie, "Spin Polarization of Photoelectrons from Topological Insulators," Phys. Rev. Lett. 109, 097601 (2012).

511. N. Alem, Q.M. Ramasse, C.R. Seabourne, O.V. Yazyev, K. Erickson, M.C. Sarahan, C. Kisielowski, A.J. Scott, S.G. Louie, and A. Zettl, "Subangstrom Edge Relaxations Probed by Electron Microscopy in Hexagonal Boron Nitride," Phys. Rev. Lett. 109, 205502 (2012).

512. S.K. Choi, J. Deslippe, R.B. Capaz, and S.G. Louie, "An Explicit Formula for Optical Oscillator Strength of Excitons in Semiconducting Single-Walled Carbon Nanotubes: Family Behavior," Nano Lett. 13, 54 (2013).

513. X. Zhang, O.V. Yazyev, J. Feng, L. Xie, C. Tao, Y-C Chen, L. Jiao, Z. Pedramrazi, A. Z, S.G. Louie, H. Dai, and M.F. Crommie, "Experimentally Engineering the Edge Termination of Graphene Nanoribbons," ACS Nano 7, 198 (2013).

514. J. Lischner, D. Vigil-Fowler, and S. G. Louie, "Physical Origin of Satellites in Photoemission of Doped Graphene: An ab initio GW plus Cumulant Study," Phys. Rev. Lett. 110, 146801 (2013).

515. J. Deslippe, G. Samsonidze, M. Jain, M.L. Cohen, and S.G. Louie, "Coulomb-hole Summations and Energies for GW Calculations with Limited Number of Empty Orbitals: A Modified Static Remainder Approach," Phys. Rev. B 87, 165124 (2013).

516. S. Coh, W. Gannett, A Zettl, M.L. Cohen, and S.G. Louie, "Surface Atom Motion to Move Iron Nanocrystals through Constrictions in Carbon Nanotubes under the Action of an Electric Current," Phys. Rev. Lett. 110, 185901 (2013).

517. C. Jozwiak, C-H. Park, K. Gotlieb, C. Hwang, D-H. Lee, S.G. Louie, J.D. Denlinger, C.R. Rotundu, R.J. Birgeneau, Z. Hussain, and A. Lanzara, "Photoelectron Spin-flipping and Texture Manipulation in a Topological Insulator," Nature Phys. 9, 293 (2013).

518. Y. Wang, D. Wong, A.V. Shytov, V.W. Brar, S. Choi, Q. Wu, H-Z Tsai, W. Regan, A. Zettl, R.K. Kawakami, S.G. Louie, L.S. Levitov, and M.F. Crommie, "Observing Atomic Collapse Resonances in Artificial Nuclei on Graphene," Science 340, 734 (2013).

519. S. Coh, S.G. Louie, and M.L. Cohen, "Theoretical Study of Solid Iron Nanocrystal Movement Inside a Carbon Nanotube," Phys. Rev. B 88, 045424 (2013).

520. S. Coh, L.Z. Tan, S.G. Louie, and M.L. Cohen, "Theory of the Raman Spectrum of Rotated Double-layer Graphene," Phys. Rev. B 88, 165431 (2013).

521. K. Kim, S. Coh, C. Kisielowski, M.F. Crommie, S.G. Louie, M.L. Cohen, and A. Zettl, "Atomically Perfect Torn Graphene Edges and Their Reversible Reconstruction," Nature Comm. 4, 2723 (2013).

522. D.Y. Qiu, F.H. da Jornada, and S.G. Louie, "Optical Spectrum of MoS2: Many-body Effects and Diversity of Exciton States," Phys. Rev. Lett. 111, 216805 (2013).[Erratum: Phys. Rev. Lett., 115, 119901 (2015)].

523. H-C. Hsueh, G.Y. Guo, and S.G. Louie, "Electron and Optical Properties of Silicon Carbide Nanostructures," Chapter 7 in Silicon-based Nanomaterials, Springer Series in Materials Science 187 (eds. H. Li, J. Wu, Z.M. Wang) (2013).

524. Y. Sakai, G.D. Nguyen, R.B. Capaz, S. Coh, I.V. Pechenezhskiy, X.P. Hong, F. Wang, M.F. Crommie, S. Saito, S.G. Louie, and M.L. Cohen, "Intermolecular Interactions and Substrate Effects for an Adamantine Monolayer on a Au(111) surface," Phys. Rev. B 88, 235407 (2013).

525. T. Bazhirov, S. Coh, S.G. Louie, and M.L. Cohen, "Importance of Oxygen Octahedra Tilts for the Electron-phonon Coupling in K-doped BaBiO3," Phys. Rev. B 88, 224509 (2013).

526. Q. Zhou, S. Coh, M.L. Cohen, S.G. Louie, and A. Zettl, "Imprint of Transition Metal d Orbitals on a Graphene Dirac Cone," Phys. Rev. B 88,235431 (2013).

527. S.Y. Wang, W.H. Wang, L.Z. Tan, X.G. Li, Z.L. Shi, G.W. Kuang, P.N. Liu, S.G. Louie, and N. Lin, "Tuning Two-dimensional Band Structure of Cu(111) Surface-state Electrons That Interplay with Artificial Supramolecular Architectures," Phys. Rev. B 88, 245430 (2013).

528. M.G. Menezes, R.B. Capaz, and S.G. Louie, "Ab Initio Quasiparticle Band Structure of ABA- and ABC-stacked Graphene Trilayers," Phys. Rev. B 89, 035431 (2014).

529. A. Malashevich, M. Jain, and S.G. Louie, "First-principles DFT+GW Study of Oxygen Vacancies in Rutile TiO2," Phys. Rev. B 89, 075205 (2014).

530. J. Lischner, T. Bazhirov, A.H. MacDonald, M.L. Cohen, and S.G. Louie, " Effect of Spin Fluctuations on Quasiparticle Excitations: First-principles Theory and Application to Sodium and Lithium, " Phys. Rev. B 89, 081108(R) (2014).

531. J.-H. Chen, G. Autes, N. Alem, F. Gargiulo, A. Gautam, M. Linck, C. Kisielowski, O.V. Yazyev, S.G. Louie, and A. Zettl, " Controlled Growth of a Line Defect in Graphene and Implications for Gate-tunable Valley Filtering, " Phys. Rev. B 89, 121407 (2014).

532. J. Lischner, D. Vigil-Fowler, and S.G. Louie, " Satellite Structures in the Spectral Functions of the Two-dimensional Electron Gas in Semiconductor Quantum Wells: A GW Plus Cumulant Study, " Phys. Rev. B 89, 125430 (2014).

533. A. Riss, S. Wickenburg, P. Gorman, L.Z. Tan, H.-Z. Tsai, D.G. de Oteyza, Y.-C. Chen, A.J. Bradley, M.M. Ugeda, G. Etkin, S.G. Louie, F.R. Fischer, and M.F. Crommie, " Local Electronic and Chemical Structure of Oligo-acetylene Derivatives Formed Through Radical Cyclizations at a Surface, " Nano Lett.14, 2251 (2014).

534. K. F. Mak, F. H. da Jornada, K.L. He, J. Deslippe, N. Petrone, J. Hone, J. Shan, S. G. Louie, and T. F. Heinz, " Tuning Many-body Interactions in Graphene: The Effects of Doping on Excitons and Quasiparticle Lifetimes, " Phys. Rev. Lett. 112, 207401 (2014).

535. K.H. Liu, X.P. Hong, S.K. Choi, C.H. Jin, R.B. Capaz, J. Kim, W.L. Wang, X.D. Bai, S.G. Louie, E.G. Wang, and F. Wang, " Systematic Determination of Absolute Absorption Cross-section of Individual Carbon Nanotubes, " Proc. National Academy of Sciences 111, 7564 (2014).

536. A. Riss, S. Wickenburg, L.Z. Tan, H.-Z. Tsai, Y. Kim, J. Lu, A.J. Bradley, M.M. Ugeda, K.L. Meaker, K. Watanabe, T. Taniguchi, A. Zettl, F.R. Fischer, S.G. Louie, and M.F. Crommie, " Imaging and Tuning Molecular Levels at the Surface of a Gated Graphene Device, " ACS Nano 8, 5395 (2014).

537. M. Bernardi, D. Vigil-Fowler, J. Lischner, J.B. Neaton, and S.G. Louie, " Ab Initio Study of Hot Carriers in the First Picosecond after Sunlight Absorption in Silicon, " Phys. Rev. Lett.112, 257402 (2014).

538. S.K. Choi, C.-H. Park, and S.G. Louie, " Electron Supercollimation in Graphene and Dirac Fermion Materials Using One-dimensional Disorder Potentials, " Phys. Rev. Lett.113, 026802 (2014).

539. G. Samsonidze, F.J. Ribeiro, M.L. Cohen, and S.G. Louie, " Quasiparticle and Optical Properties of Polythiophene-derived Polymers, " Phys. Rev. B 90, 035123 (2014).

540. J.I. Mustafa, B.D. Malone, M.L. Cohen, and S.G. Louie, " Band Offsets in c-Si/Si-XII Heterojunctions, " Solid State Comm. 191, 6 (2014).

541. G. Samsonidze, M.L. Cohen, and S.G. Louie, " First-principles Study of Quasiparticle Energies of a Bipolar Molecule in a Scanning Tunneling Microscope Measurement, " Comp. Mat. Sci. 91, 187 (2014).

542. K.H. Liu, L.M. Zhang, T. Cao, C.H. Jin, D.Y. Qiu, Q. Zhou, A. Zettl, P.D. Yang, S.G. Louie, and F. Wang, " Evolution of Interlayer Coupling in Twisted MoS2 Bilayers, " Nature Communications 5, 4966 (2014).

543. Z.L. Ye, T. Cao, K. O'Brien, H.Y. Zhu, X.B. Yin, Y. Wang, S.G. Louie, and X. Zhang, " Probing Excitonic Dark States in Single-layer Tungsten Disulphide, " Nature 513, 214 (2014).

544. J. Lischner, S. Sharifzadeh, J. Deslippe, J.B. Neaton, and S.G. Louie, " Effects of Self-consistency and Plasmon-pole Models on GW Calculations for Closed-shell Molecules, " Phys. Rev. B 90, 115130 (2014).

545. M. Jain, J. Deslippe, G. Samsonidze, M.L. Cohen, J.R. Chelikowsky, and S.G. Louie, " Improved Quasiparticle Wave Functions and Mean Field for G0W0 calculations: Initialization with COHSEX Operator, " Phys. Rev. B 90, 115148 (2014).

546. M. Kapilashrami, G. Conti, I. Zegkinoglou, S. Nemsak, C.S. Conlon, T. Torndahl, V. Fjallstrom, J. Lischner, S.G. Louie, R.J. Hamers, L. Zhang, J.H. Guo, C.S. Fadley, and F.J. Himpsel, " Boron Doped Diamond Films as Electron Donors in Photovoltaics: An X-ray Absorption and Hard X-ray Photoemission Study, " Appl. Phys. 116, 143702 (2014).

547. L.M. Zhang, K.H. Liu, A.B. Wong, J. Kim, X.P. Hong, C. Liu, T. Cao, S.G. Louie, F. Wang, and P.D. Yang, " Three-dimensional Spirals of Atomic Layered MoS2, " Nano Lett. 14, 6418 (2014).

548. S.Y. Wang, L.Z. Tan, W.H. Wang, S.G. Louie, and N. Lin, " Manipulation and Characterization of Aperiodical Graphene Structures Created in a Two-dimensional Electron Gas, " Phys. Rev. Lett. 113, 196803 (2014).

549. M.M. Ugeda, A.J. Bradley, S-F. Shi, F.H. da Jornada, Y. Zhang, D.Y. Qiu, W. Ruan, S.-K. Mo, Z. Hussain, Z-X. Shen, F. Wang, S.G. Louie, and M.F. Crommie, " Giant Bandgap Renormalization and Excitonic Effects in a Monolayer Transition Metal Dichalcogenide Semiconductor, " Nature Mat. 13, 1091 (2014).

550. J. Lischner, T. Bazhirov, A.H. MacDonald, M.L. Cohen, and S.G. Louie, " First-principles theory of electron-spin fluctuation coupling and superconducting instabilities in iron selenide, " Phys. Rev. B 91, 020502(R) (2015).

551. Y.-C. Chen, T. Cao, C. Chen, Z. Pedramrazi, D. Haberer, D.G. de Oteyza, F.R. Fischer, S.G. Louie and M.F. Crommie, " Molecular bandgap engineering of bottom-up synthesized graphene nanoribbon heterojunctions, " Nature Nanotech. 10, 156 (2015).

552. F. Liu, L. Lin, D. Vigil-Fowler, J. Lischner, A. Kemper, S. Sharifzadeh, F. H. da Jornada, J. Deslippe, C. Yang, J. Neaton, S. G. Louie, " Numerical Integration for Ab Initio Many-electron Self Energy Calculation within the GW Formalism, " J. of Comp. Phys. 286, 1 (2015).

553. A.J. Bradley, M.M. Ugeda, F.H. da Jornada, D.Y. Qiu, W. Ruan, Y. Zhang, S. Wickenburg, A. Riss, J. Lu, S.K. Mo, Z. Hussain, Z.X. Shen, S.G. Louie, and M. Crommie, " Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe2 Nanostructures, " Nano Lett. 15, 2594 (2015).

554. M. Bernardi, D. Vigil-Fowler, C.S. Ong, J. Neaton, and S.G. Louie, " Ab initio study of hot electrons in GaAs, " Proc. of Nat. Acad. of Sciences 112, 5291 (2015).

555. J. Lischner, G.K. Palsson, D. Vigil-Fowler, S. Nemsak, J.Avila, M.C. Asensio, C.S. Fadley, and S.G. Louie, " Satellite band structure in silicon caused by electron-plasmon coupling, " Phys. Rev. B 91 , 205113 (2015).

556. M. Bernardi, J. Mustafa, J.B. Neaton, and S.G. Louie, " Theory and Computation of Hot Carriers Generated by Surface Plasmon Polaritons in Noble Metals, " Nature Comm. 6, 7044 (2015).

557. T. Cao, Z. Li, and S.G. Louie, " Tunable Magnetism and Half-Metailicity in Hole-Doped Monolayer GsSe, " Phys. Rev. Lett. 114, 236602 (2015).

558. L. Tan, M. Orlita, M. Potemski, J. Palmer, C. Berger, W.A. de Heer, S.G. Louie and G. Martinez, " SU(4) Symmetry Breaking Revealed by Magneto-optical Spectroscopy in Epitaxial Graphene, " Phys. Rev. B 91, 235122 (2015).

559. R.R. Cloke, T. Marangoni, G.D. Nguyen, T. Joshi, D.J. Rizzo, C. Bronner, T. Cao, S.G. Louie, M. Crommie, and F.R. Fischer, " http://pubs.acs.org/doi/abs/10.1021/jacs.5b02523 " J. Amer. Chem. Soc. 137, 8872 (2015).

560. S. Coh, M.L. Cohen, and S.G. Louie, " Large Electron-phonon interactions from FeSe Phonons in a Monolayer, " New J. Phys. 17, 073027 (2015).

561. D.Y. Qiu, T. Cao, and S.G. Louie, " Nonanalyticity, Valley Quantum Phases, and Lightlike Exciton Dispersion in Monolayer Transition Metal Dichalcogenides: Theory and First-Principles Calculations, " Phys. Rev. Lett. 115, 176801 (2015).

562. J.I. Mustafa, S. Coh, ML. Cohen, and S.G. Louie, " Automated Construction of Maximally Localized Wannier Funtions: Optimized Projection Functions Method, " Phys. Rev. B 92, 165134 (2015).

563. M. van Setten, F. Carouso, S. Sharifzadeh, X. Ren, M. Scheffler, F. Liu, J. Lischner, L. Lin, J. Deslippe, S. G. Louie, C. Yang, F. Weigend, J. Neaton, F. Evers, and P. Rinke, " GW 100: Benchmarking G0W0 for molecular systems, " J. Chem. Theory Comput. 11, 5665 (2015).

564. G. R. Bhimanapati, Z. Lin, V. Meunier, Y. E. Jung, J. Cha, S. Das, D. Xiao, Y.-W. Son, M. S. Strano, V. Cooper, L. Liang, S. G. Louie, E. Ringe, W. Zhou, B. G. Sumpter, H. Terrones, F. Xia, Y. Wang, J. Zhu, D. Akinwande, N. Alem, J. Schuller, R. E. Schaak, M. Terrones, and J. A. Robinson, " Recent Advances in Two-Dimensional Materials Beyond Graphene, " ACS Nano 9, 11509 (2015).

565. H. Z. Tai, A. A. Omrani, S. Coh, H. Oh, S. Wickenburg, Y. W. Son, D. Wong, A. Riss, H. S. Jung, G. D. Nguyen, G. F. Rodgers, A. S. Aikawa, T. Taniguchi, K. Watanabe, A. Zettl, S. G. Louie, J. Lu, M. L. Cohen, and M. F. Crommie, " Molecular Self-Assembly in a Poorly Screened Environment: F4TCNQ on Graphene/BN, " ACS Nano 9, 12168 (2015).

566. C. T. Chan, A. Fang, Z. Q. Zhang, and S. G. Louie, " Novel Transport Properties of Pseudospin-1 Photons. " SPIE Newsroom (2015).

567. M. Y. Shao, F. H. da Jornada, C. Yang, J. Deslippe, and S.G. Louie, " Structure Preserving Parallel Algorithms for Solving the Bethe-Salpeter Eigenvalue Problem, " Linear Algebra and its Applications 488, 148 (2015).

568. A. Fang, Z. Q. Zhang, S. G. Louie and C. T. Chan, " Klein Tunneling and Supercollimation of Pseudospin-1 Electromagnetic Waves, " Phys. Rev. B 93, 035422 (2016).

569. G. D. Nguyen, F. M. Tom, T. Cao, Z. Pedramrazi, C. Chen, D. J. Rizzo, T. Joshi, C. Bronner, Y. C. Chen, M. Favaro, S. G. Louie, F. R. Fischer, and M. F. Crommie, " Bottom-up Synthesis of N=13 Sulfer-Doped Graphene Nanoribbons, " J. Phys. Chem. C 120, 2684 (2016).

570. J. Lischner, S. Nemsak, G. Conti, A. Gloskovskii, G. K. Páson, C. M. Schneider, W. Drube, S. G. Louie, and C. Fadley, " Accurate Determination of the Balence Band Edge in Hard X-ray Photoemission Spectra Using GW Theory, " J. Appl. Phys. 119, 165703 (2016).

571. J. McClain, J. Lischner, T. Watson, D. A. Matthews, E. Ronca, S. G. Louie, T. C. Berkelbach, and G. K.-L. Chan, " Spectral Functions of the Uniform Electron Gas via Coupled-Cluster Theory and Comparison to the GW and Related Approximations, " Phys. Rev. B 93, 235139 (2016).

572. D. Y. Qiu, F. H. da Jornada, and S. G. Louie, " Screening and Many-body Effects in Two-Dimensional Crystals: Monolayer MoS2, " Phys. Rev. B 93, 235435 (2016).

573. D. Vigil-Fowler, S. G. Louie, and J. Lischner, " Dispersion and Line Shape of Plasmon Satellites in One, Two, and Three dimensions, " Phys. Rev. B 93, 235446 (2016).

574. S. Coh, D.-H. Lee, S. G. Louie, and M. L. Cohen, " Proposal for a Bulk Material Based on a Monolayer FeSe on SrTiO3 High-Temperature Superconductor, " Phys. Rev. B 93, 245138 (2016).

575. M. Y. Shao, L. Lin, C. Yang, F. Liu, F. H. Da Jornada, J. Deslippe, and S. G. Louie, " Low Rank Approximation in G0W0 Calculations, " Sci. China Math. 59, 1593 (2016).

576. L. Hung, F. H. da Jornada, J. Souto-Casares, J. R. Chelikowsky, S. G. Louie, and S. Ogut, " Excitation Spectra of Aromatic Molecules within a Real-Space GW-BSE Formalism: Role of Self-Consistency and Vertex Corrections, " Phys. Rev. B 94, 085125 (2016).

577. T. Cao, Z. L. Li, D. Y. Qiu, and S. G. Louie, " Gate Switchable Transport and Optical Anisotropy in 90 {degree} Twisted Bilayer Black Phosphorus, " Nano Lett. (2016) DOI: 10.1021/acs.nanolett.6b02084.

578. L. Li, J. Kim, C. Jin, G. Ye, D.Y. Qiu, F. H. da Jornada, Z. Shi, L. Chen, Z. Zhang, F. Yang, K. Watanabe, T. Taniguchi, W. Ren, S. G. Louie, X. Chen, Y. Zhang, and F. Wang, " Direct Observation of Layer-Dependent Electronic Structure in Phosphorene, " Nat. Nanotechnol. (2016). DOI: 10.1038/nnano.2016.171.


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