
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, "Electronhole Interaction and Optical Excitations in Solids, Surfaces, and Polymers", in Proceedings of the 3^{rd} JapanKorea Joint Workshop on FirstPrinciples 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 C_{2}H_{4}
Adsorbed on the Si(001) (2 305. S. Ishii, K. Ohno, Y. Kawazoe, and S.G. Louie, "Ab initio GW quasiparticle energies of small sodium clusters by an allelectron mixedbasis 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 (SpringerVerlag, Berlin, 2001), p.79. 308. Y.H. Kim, K.J. Chang, and S.G. Louie, "Bandgap Modification by Radial Deformation in C, BN, and BC_{3} Nanotubes", in Proceedings of 25th International Conference on the Physics of Semiconductors, eds. N. Miura and T. Ando (SpringerVerlag, Berlin, 2001), p. 1645. 309. Y.H. Kim, K.J. Chang, and S.G. Louie, "Electronic
structure of radially deformed BN and 310. S.G. Louie, "Ab Initio Study of Optical Excitations: Role of Electronhole 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 (SpringerVerlag, 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. IsmailBeigi, 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 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, CrossedTube 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 groupIV 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 alkalimetal 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 MgB_{2}" Nature 418, 758 (2002). 324. J.L. Li, G.M. Rignanese, E.K. Chang, X. Blase, and S.G. Louie, "GW study of the metalinsulator 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, "Firstprinciples
calculation of the superconducting transition in 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 BromineDoped 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. IsmailBeigi, 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 332. H.J. Choi, D. Roundy, H. Sun, M.L. Cohen, and S.G. Louie, "Superconductivity of MgB_{2} from FirstPrinciples", CIMTEC 20023^{rd} Forum on New Materials, 2^{nd} International Conference "Computational Modelling and Simulation of Materials", eds. P. Vincenzini, A Lami (Techna, 2003), p. 15. 333. S. IsmailBeigi and S.G. Louie, "ExcitedState Forces within a FirstPrinciples 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 MgB_{2}: T_{c}, 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 C_{60} Molecule", Phys. Rev. Lett. 90, 096802 (2003). 336. J.A. Alford, M.Y. Chou, E.K. Chang, and S.G.
Louie, "Firstprinciples
studies of quasiparticle band structures of cubic 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 ElectronDoped C_{60} Monolayers", Science 300, 303 (2003). 339. M. Cardona, M.L. Cohen, and S.G. Louie, "Leopoldo Maximo Falicov 19331995", 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 (SpringerVerlag, 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 344. H. J. Choi, D. Roundy, H. Sun, M. L. Cohen, and
S. G. Louie,
Reply to "Comment on `Firstprinciples calculation of the
superconducting transition in
345. C.D. Spataru, S. IsmailBeigi, L.X. Benedict, and S.G. Louie, "Excitonic Effects and Optical Spectra of SingleWalled Carbon Nanotubes", Phys. Rev. Lett. 92, 077402 (2004). 346. C.D. Spataru, S. IsmailBeigi,
L.X. Benedict, and S.G. Louie, "Quasiparticle
Energies, Excitonic Effects and Optical Absorption Spectra of
Smalldiameter Singlewalled Carbon Nanotubes", Appl. Phys.
A 78, 1129 (2004). 350. S. Saito, K. Umemoto, S. G. Louie, and M. L. Cohen, "Energetics and structural stability of Cs_{3}C_{60}", 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). 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 CoO_{2} : 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 C_{60} 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, "OrientationDependent C_{60} 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 transpolyacetylene", Phys. Rev. B 70, 193204 (2004). 359. A. Trave, F. J. Ribeiro, S. G. Louie, and M. L.
Cohen, "Energetics and structural characterization of C_{60}
polymerization in BN and carbon nanopeapods", Phys. Rev.
B 70, 205418 (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. 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@C_{82}," 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. IsmailBeigi and S.G. Louie, "SelfTrapped 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 JahnTeller Effect in an Insulating K_{4}C_{60} 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. IsmailBeigi, 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 Diamondgraphite 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 ElectronPhonon 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 TwoBand 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 ManyElectron Effects in the Optical Response of SingleWalled 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. IsmailBeigi, C.D. Spataru, S.G. Louie, G. Dresselhaus, and M.S. Dresselhaus, "Selection Rules for One and TwoPhoton 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, "Firstprinciples 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 SingleWalled 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 ExcitedState Properties, vol. eds., S.G. Louie, M.L. Cohen (Elsevier, Amsterdam, 2006) p. 9. 392. R.B. Capaz, C.D. Spataru, S. IsmailBeigi, 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 WaveDrag Enhancement of Friction in Sliding Carbon Nanotubes," Phys. Rev. Lett. 97, 195901 (2006). 395. Y.W. Son, M. L. Cohen, and S. G. Louie, "HalfMetallic Graphene Nanoribbons," Nature 444, 347 (2006). 396. J.B. Neaton, M.S. Hybertsen, and S.G. Louie, "Renormalization of Molecular Electronic Levels at MetalMolecule 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 delectrons 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, "ElectronPhonon Interaction via Electron and Lattice Wannier Functions: Superconductivity in BoronDoped 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).
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, "Electronhole Interaction and Optical Excitations in Solids, Surfaces, and Polymers", in Proceedings of the 3^{rd} JapanKorea Joint Workshop on FirstPrinciples 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 C_{2}H_{4}
Adsorbed on the Si(001) (2 305. S. Ishii, K. Ohno, Y. Kawazoe, and S.G. Louie, "Ab initio GW quasiparticle energies of small sodium clusters by an allelectron mixedbasis 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 (SpringerVerlag, Berlin, 2001), p.79. 308. Y.H. Kim, K.J. Chang, and S.G. Louie, "Bandgap Modification by Radial Deformation in C, BN, and BC_{3} Nanotubes", in Proceedings of 25th International Conference on the Physics of Semiconductors, eds. N. Miura and T. Ando (SpringerVerlag, Berlin, 2001), p. 1645. 309. Y.H. Kim, K.J. Chang, and S.G. Louie, "Electronic
structure of radially deformed BN and 310. S.G. Louie, "Ab Initio Study of Optical Excitations: Role of Electronhole 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 (SpringerVerlag, 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. IsmailBeigi, 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 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, CrossedTube 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 groupIV 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 alkalimetal 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 MgB_{2}" Nature 418, 758 (2002). 324. J.L. Li, G.M. Rignanese, E.K. Chang, X. Blase, and S.G. Louie, "GW study of the metalinsulator 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, "Firstprinciples
calculation of the superconducting transition in 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 BromineDoped 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. IsmailBeigi, 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 332. H.J. Choi, D. Roundy, H. Sun, M.L. Cohen, and S.G. Louie, "Superconductivity of MgB_{2} from FirstPrinciples", CIMTEC 20023^{rd} Forum on New Materials, 2^{nd} International Conference "Computational Modelling and Simulation of Materials", eds. P. Vincenzini, A Lami (Techna, 2003), p. 15. 333. S. IsmailBeigi and S.G. Louie, "ExcitedState Forces within a FirstPrinciples 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 MgB_{2}: T_{c}, 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 C_{60} Molecule", Phys. Rev. Lett. 90, 096802 (2003). 336. J.A. Alford, M.Y. Chou, E.K. Chang, and S.G.
Louie, "Firstprinciples
studies of quasiparticle band structures of cubic 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 ElectronDoped C_{60} Monolayers", Science 300, 303 (2003). 339. M. Cardona, M.L. Cohen, and S.G. Louie, "Leopoldo Maximo Falicov 19331995", 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 (SpringerVerlag, 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 344. H. J. Choi, D. Roundy, H. Sun, M. L. Cohen, and
S. G. Louie,
Reply to "Comment on `Firstprinciples calculation of the
superconducting transition in
345. C.D. Spataru, S. IsmailBeigi, L.X. Benedict, and S.G. Louie, "Excitonic Effects and Optical Spectra of SingleWalled Carbon Nanotubes", Phys. Rev. Lett. 92, 077402 (2004). 346. C.D. Spataru, S. IsmailBeigi,
L.X. Benedict, and S.G. Louie, "Quasiparticle
Energies, Excitonic Effects and Optical Absorption Spectra of
Smalldiameter Singlewalled Carbon Nanotubes", Appl. Phys.
A 78, 1129 (2004). 350. S. Saito, K. Umemoto, S. G. Louie, and M. L. Cohen, "Energetics and structural stability of Cs_{3}C_{60}", 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). 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 CoO_{2} : 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 C_{60} 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, "OrientationDependent C_{60} 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 transpolyacetylene", Phys. Rev. B 70, 193204 (2004). 359. A. Trave, F. J. Ribeiro, S. G. Louie, and M. L.
Cohen, "Energetics and structural characterization of C_{60}
polymerization in BN and carbon nanopeapods", Phys. Rev.
B 70, 205418 (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. 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@C_{82}," 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. IsmailBeigi and S.G. Louie, "SelfTrapped 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 JahnTeller Effect in an Insulating K_{4}C_{60} 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. IsmailBeigi, 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 Diamondgraphite 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 ElectronPhonon 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 TwoBand 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 ManyElectron Effects in the Optical Response of SingleWalled 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. IsmailBeigi, C.D. Spataru, S.G. Louie, G. Dresselhaus, and M.S. Dresselhaus, "Selection Rules for One and TwoPhoton 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, "Firstprinciples 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 SingleWalled 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 ExcitedState Properties, vol. eds., S.G. Louie, M.L. Cohen (Elsevier, Amsterdam, 2006) p. 9. 392. R.B. Capaz, C.D. Spataru, S. IsmailBeigi, 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 WaveDrag Enhancement of Friction in Sliding Carbon Nanotubes," Phys. Rev. Lett. 97, 195901 (2006). 395. Y.W. Son, M. L. Cohen, and S. G. Louie, "HalfMetallic Graphene Nanoribbons," Nature 444, 347 (2006). 396. J.B. Neaton, M.S. Hybertsen, and S.G. Louie, "Renormalization of Molecular Electronic Levels at MetalMolecule 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 delectrons 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, "ElectronPhonon Interaction via Electron and Lattice Wannier Functions: Superconductivity in BoronDoped 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).
