James R. Chelikowsky
James R. Chelikowsky
W.A. "Tex" Moncrief, Jr. Chair of Computational Materials, University of Texas
Verifierad e-postadress på utexas.edu - Startsida
TitelCiteras avÅr
Nonlocal pseudopotential calculations for the electronic structure of eleven diamond and zinc-blende semiconductors
JR Chelikowsky, ML Cohen
Physical Review B 14 (2), 556, 1976
23801976
Electronic structure and optical properties of semiconductors
ML Cohen, JR Chelikowsky
Springer Science & Business Media, 2012
11452012
Finite-difference-pseudopotential method: Electronic structure calculations without a basis
JR Chelikowsky, N Troullier, Y Saad
Physical review letters 72 (8), 1240, 1994
8681994
Self-purification in semiconductor nanocrystals
GM Dalpian, JR Chelikowsky
Physical review letters 96 (22), 226802, 2006
6042006
Higher-order finite-difference pseudopotential method: An application to diatomic molecules
JR Chelikowsky, N Troullier, K Wu, Y Saad
Physical Review B 50 (16), 11355, 1994
5281994
Quantum confinement and optical gaps in Si nanocrystals
S Öğüt, JR Chelikowsky, SG Louie
Physical Review Letters 79 (9), 1770, 1997
4551997
Structural and electronic properties of titanium dioxide
KM Glassford, JR Chelikowsky
Physical Review B 46 (3), 1284, 1992
4481992
Self-consistent pseudopotential calculations for Si (111) surfaces: Unreconstructed (1× 1) and reconstructed (2× 1) model structures
M Schlüter, JR Chelikowsky, SG Louie, ML Cohen
Physical Review B 12 (10), 4200, 1975
447*1975
Electronic structure of silicon
JR Chelikowsky, ML Cohen
Physical Review B 10 (12), 5095, 1974
4171974
Electron states in α-quartz: A self-consistent pseudopotential calculation
JR Chelikowsky, M Schlüter
Physical Review B 15 (8), 4020, 1977
3801977
Ionicity and the theory of Schottky barriers
SG Louie, JR Chelikowsky, ML Cohen
Physical Review B 15 (4), 2154, 1977
3771977
First-principles linear combination of atomic orbitals method for the cohesive and structural properties of solids: Application to diamond
JR Chelikowsky, SG Louie
Physical Review B 29 (6), 3470, 1984
2761984
Ab initio calculations for the polarizabilities of small semiconductor clusters
I Vasiliev, S Öğüt, JR Chelikowsky
Physical review letters 78 (25), 4805, 1997
2541997
Ab Initio Absorption Spectra and Optical Gaps in Nanocrystalline Silicon
I Vasiliev, S Öğüt, JR Chelikowsky
Physical Review Letters 86 (9), 1813, 2001
2412001
Surface oxidation effects on the optical properties of silicon nanocrystals
I Vasiliev, JR Chelikowsky, RM Martin
Physical Review B 65 (12), 121302, 2002
2362002
Electronic structure and spin polarization of Mn x Ga 1− x N
L Kronik, M Jain, JR Chelikowsky
Physical Review B 66 (4), 041203, 2002
2322002
Ab Initio Excitation Spectra and Collective Electronic Response in Atoms and Clusters
I Vasiliev, S Öğüt, JR Chelikowsky
Physical review letters 82 (9), 1919, 1999
2291999
Quantum-defect theory of heats of formation and structural transition energies of liquid and solid simple metal alloys and compounds
JR Chelikowsky, JC Phillips
Physical Review B 17 (6), 2453, 1978
2291978
PARSEC–the pseudopotential algorithm for real‐space electronic structure calculations: recent advances and novel applications to nano‐structures
L Kronik, A Makmal, ML Tiago, MMG Alemany, M Jain, X Huang, Y Saad, ...
physica status solidi (b) 243 (5), 1063-1079, 2006
2262006
Surface and thermodynamic interatomic force fields for silicon clusters and bulk phases
JR Chelikowsky, JC Phillips, M Kamal, M Strauss
Physical review letters 62 (3), 292, 1989
2051989
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