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Results: 1-21 |
Results: 21
Nanoscience, nanotechnology, and modeling
Authors: Chelikowsky, JR Ratner, MA
Citation: Jr. Chelikowsky et Ma. Ratner, Nanoscience, nanotechnology, and modeling, COMPUT SC E, 3(4), 2001, pp. 40-41
Ab initio simulations of liquid semiconductors using the pseudopotential-density functional method
Authors: Chelikowsky, JR Derby, JJ Godlevsky, VV Jain, M Raty, JY
Citation: Jr. Chelikowsky et al., Ab initio simulations of liquid semiconductors using the pseudopotential-density functional method, J PHYS-COND, 13(41), 2001, pp. R817-R854
Ab initio absorption spectra and optical gaps in nanocrystalline silicon
Authors: Vasiliev, I Ogut, S Chelikowsky, JR
Citation: I. Vasiliev et al., Ab initio absorption spectra and optical gaps in nanocrystalline silicon, PHYS REV L, 86(9), 2001, pp. 1813-1816
Ab initio structures and polarizabilities of sodium clusters
Authors: Kronik, L Vasiliev, I Jain, M Chelikowsky, JR
Citation: L. Kronik et al., Ab initio structures and polarizabilities of sodium clusters, J CHEM PHYS, 115(9), 2001, pp. 4322-4332
Ab initio structures and polarizabilities of sodium clusters (vol 115, pg 4322, 2001)
Authors: Kronik, L Vasiliev, I Jain, M Chelikowsky, JR
Citation: L. Kronik et al., Ab initio structures and polarizabilities of sodium clusters (vol 115, pg 4322, 2001), J CHEM PHYS, 115(18), 2001, pp. 8714-8714
Structural and electronic properties of CdS and CdSe clusters
Authors: Troparevsky, MC Chelikowsky, JR
Citation: Mc. Troparevsky et Jr. Chelikowsky, Structural and electronic properties of CdS and CdSe clusters, J CHEM PHYS, 114(2), 2001, pp. 943-949
The origin of the pseudopotential density functional method. Perspective on "Microscopic theory of phase transformation and lattice dynamics of Si" - Yin MT, Cohen ML (1980) Phys Rev Lett 45 : 1004-1007
Authors: Chelikowsky, JR
Citation: Jr. Chelikowsky, The origin of the pseudopotential density functional method. Perspective on "Microscopic theory of phase transformation and lattice dynamics of Si" - Yin MT, Cohen ML (1980) Phys Rev Lett 45 : 1004-1007, THEOR CH AC, 103(3-4), 2000, pp. 340-342
Pressure-induced amorphization in crystalline silica: Soft phonon modes and shear instabilities in coesite
Authors: Dean, DW Wentzcovitch, RM Keskar, N Chelikowsky, JR Binggeli, N
Citation: Dw. Dean et al., Pressure-induced amorphization in crystalline silica: Soft phonon modes and shear instabilities in coesite, PHYS REV B, 61(5), 2000, pp. 3303-3309
Electronic structure methods for predicting the properties of materials: Grids in space
Authors: Chelikowsky, JR Saad, Y Ogut, S Vasiliev, I Stathopoulos, A
Citation: Jr. Chelikowsky et al., Electronic structure methods for predicting the properties of materials: Grids in space, PHYS ST S-B, 217(1), 2000, pp. 173-195
Oxygen configurations in silica
Authors: Chelikowsky, JR Chadi, DJ Binggeli, N
Citation: Jr. Chelikowsky et al., Oxygen configurations in silica, PHYS REV B, 62(4), 2000, pp. R2251-R2254
Electronic and structural properties of germania polymorphs
Authors: Christie, DM Chelikowsky, JR
Citation: Dm. Christie et Jr. Chelikowsky, Electronic and structural properties of germania polymorphs, PHYS REV B, 62(22), 2000, pp. 14703-14711
Ab initio calculations for structure and temperature effects on the polarizabilities of Na-n (n <= 20) clusters
Authors: Kronik, L Vasiliev, I Chelikowsky, JR
Citation: L. Kronik et al., Ab initio calculations for structure and temperature effects on the polarizabilities of Na-n (n <= 20) clusters, PHYS REV B, 62(15), 2000, pp. 9992-9995
Evidence of a reentrant Peierls distortion in liquid GeTe
Authors: Raty, JY Godlevsky, V Ghosez, P Bichara, C Gaspard, JP Chelikowsky, JR
Citation: Jy. Raty et al., Evidence of a reentrant Peierls distortion in liquid GeTe, PHYS REV L, 85(9), 2000, pp. 1950-1953
Spectroscopic evidence for the tricapped trigonal prism structure of semiconductor clusters
Authors: Muller, J Liu, B Shvartsburg, AA Ogut, S Chelikowsky, JR Siu, KWM Ho, KM Gantefor, G
Citation: J. Muller et al., Spectroscopic evidence for the tricapped trigonal prism structure of semiconductor clusters, PHYS REV L, 85(8), 2000, pp. 1666-1669
The pseudopotential-density functional method applied to nanostructures
Authors: Chelikowsky, JR
Citation: Jr. Chelikowsky, The pseudopotential-density functional method applied to nanostructures, J PHYS D, 33(8), 2000, pp. R33-R50
First-principles search for high-pressure phases of GaAsO4
Authors: Duan, WH Wentzcovitch, RM Chelikowsky, JR
Citation: Wh. Duan et al., First-principles search for high-pressure phases of GaAsO4, PHYS REV B, 60(6), 1999, pp. 3751-3756
Ab initio absorption spectra of gallium arsenide clusters
Authors: Vasiliev, I Ogut, S Chelikowsky, JR
Citation: I. Vasiliev et al., Ab initio absorption spectra of gallium arsenide clusters, PHYS REV B, 60(12), 1999, pp. R8477-R8480
Comment on "Quantum confinement and optical gaps in Si nanocrystals" - Reply
Authors: Ogut, S Chelikowsky, JR Louie, SG
Citation: S. Ogut et al., Comment on "Quantum confinement and optical gaps in Si nanocrystals" - Reply, PHYS REV L, 83(6), 1999, pp. 1270-1270
Large pairing Jahn-Teller distortions around divacancies in crystalline silicon
Authors: Ogut, S Chelikowsky, JR
Citation: S. Ogut et Jr. Chelikowsky, Large pairing Jahn-Teller distortions around divacancies in crystalline silicon, PHYS REV L, 83(19), 1999, pp. 3852-3855
Ab initio excitation spectra and collective electronic response in atoms and clusters
Authors: Vasiliev, I Ogut, S Chelikowsky, JR
Citation: I. Vasiliev et al., Ab initio excitation spectra and collective electronic response in atoms and clusters, PHYS REV L, 82(9), 1999, pp. 1919-1922
Electronic structure calculations for plane-wave codes without diagonalization
Authors: Jay, LO Kim, H Saad, Y Chelikowsky, JR
Citation: Lo. Jay et al., Electronic structure calculations for plane-wave codes without diagonalization, COMP PHYS C, 118(1), 1999, pp. 21-30
Risultati: 1-21 |