
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, "LocalField 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, "SelfConsistent
Pseudopotential Calculations on Si(111) Unreconstructed and (2 4. M. Schluter, J. R. Chelikowsky, S. G. Louie, and M.
L.Cohen, "Selfconsistent
pseudopotential calculations for Si (111) surfaces: Unreconstructed (1
6. M. L. Cohen, M. Schluter, J. R. Chelikowsky, and S. G. Louie, "Selfconsistent pseudopotential method for localized configurations: Molecules", Phys. Rev. B 12, 5575 (1975). 7. S. G. Louie and M. L. Cohen, "SelfConsistent Pseudopotential Calculation for a MetalSemiconductor 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, "Selfconsistent 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 metalsemiconductor 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 metalsemiconductor 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 fBand 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, "Selfconsistent 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 ElectronPhonon Coupling", Solid State Comm. 22, 1 (1977). 18. S. G. Louie, K. M. Ho, J. R. Chelikowsky, and M. L. Cohen, "Selfconsistent 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, "GeGaAs (110) Interface: A SelfConsistent 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, "Selfconsistent calculations of interface states and electronic structure of the (110) interfaces of GeGaAs and AlAsGaAs", Phys. Rev. B 17, 815 (1978). . [Erratum: Phys. Rev. B 18, 2966 (1978)] 22. J. Ihm, S. G. Louie, and M. L. Cohen, "Selfconsistent 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 zonecenter phonons in Si", Phys. Rev. B 17, 3174 (1978). 24. J. Ihm, S. G. Louie, and M. L. Cohen, "DiamondMetal Interfaces and the Theory of Schottky Barriers", Phys. Rev. Lett. 40, 1208 (1978). 25. S. G. Louie, "Electronic States and AdsorbateInduced 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, "Selfconsistent mixedbasis approach to the electronic structure of solids", Phys. Rev. B 19, 1774 (1979). 29. S. G. Louie, "Hydrogen on Pd(111): SelfConsistent 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 FrequencyDependent 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 localizedorbital 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 dBand 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 ThirdStage Lithium Intercalated Graphite", Phys. Rev. Lett. 47, 1318 (1981). 35. Z. H. Levine and S. G. Louie, "New model dielectric function and exchangecorrelation 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 spindensityfunctional calculations", Phys. Rev. B 26, 1738 (1982). 37. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, "Xray form factors and the electronic structure of graphite", Phys. Rev. B. 26, 5382 (1982). 38. C. Minot and S. G. Louie, "Electronic
structure of ditetramethyltetraselenafulvaleneX [( 39. S. G. Louie, "Calculated optical and photoemission properties of GeSe_{2}", 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, "Selfconsistent pseudopotential calculation of the electronic structure of PdH and Pd_{4}H", 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, "Lithiumintercalated graphite: Selfconsistent 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, "Firstprinciples 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, "NonLocal 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 lithiumintercalated graphite", Phys. Rev. B 30, 1062 (1984). 51. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, "Interlayer states in graphite and in alkalimetalgraphite 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 PhononPhonon Interactions and the Absence of TwoPhonon 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): Selfconsistent 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, "Nonlocaldensityfunctional 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 LithiumIntercalated 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 (SpringerVerlag, New York, 1985), p.43. 63. M. S. Hybertsen and S. G. Louie, "Calculation of Optical Gaps in Silicon in the Screened ExchangeCoulomb Hole Approximation", in Proceedings of the 17th International Conference on the Physics of Semiconductors, eds. D. J. Chadi and W. A. Harrison (SpringerVerlag, New York, 1985), p.1001. 64. M. Hanfland, K. Syassen, S. Fahy, S. G. Louie, and M. L. Cohen, "Pressure dependence of the firstorder 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 (SpringerVerlag, 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, "FirstPrinciples 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 conductionband 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 selfconsistency 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 LiC_{6}", 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 FirstOrder Raman Mode of Diamond under Pressure", Physica B+C 139140, 516 (1986). 79. S. B. Zhang, M. L. Cohen, and S. G. Louie, "Structural and electronic properties of the AlGaAs(110) interface", Phys. Rev. B 34, 768 (1986). 80. S. Fahy, S. G. Louie, and M.L. Cohen, "Pseudopotential totalenergy study of the transition from rhombohedral graphite to diamond", Phys. Rev. B 34, 1191 (1986). 81. M. S. Hybertsen and S. G. Louie, "Spinorbit 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 CoverageDependent 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, "Manybody 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 densityfunctional 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 densityfunctional 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 scanningtunnelingmicroscopy images of graphite", Phys. Rev. B 35, 7790 (1987). 92. S. Fahy, S. G. Louie, and M. L. Cohen, "Theoretical totalenergy study of the transformation of graphite into hexagonal diamond", Phys. Rev. B 35, 7623 (1987). 93. S. Fahy and S. G. Louie, "Highpressure 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 (SpringerVerlag, 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 ExcitedState Properties of Surfaces", in Proceedings of the AsiaPacific 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 rareearth site in ErBa_{2}Cu_{3}O_{7}", Phys. Rev. B 36, 8899 (1987). 100. M. S. Hybertsen and S. G. Louie, "Model dielectric matrices for quasiparticle selfenergy calculations", Phys. Rev. B 37, 2733 (1988). 