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).


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