关注
Oleg Vydrov
Oleg Vydrov
未知所在单位机构
在 alumni.rice.edu 的电子邮件经过验证
标题
引用次数
引用次数
年份
Restoring the density-gradient expansion for exchange in solids and surfaces
JP Perdew, A Ruzsinszky, GI Csonka, OA Vydrov, GE Scuseria, ...
Physical Review Letters 100 (13), 136406, 2008
106252008
Influence of the exchange screening parameter on the performance of screened hybrid functionals
AV Krukau, OA Vydrov, AF Izmaylov, GE Scuseria
The Journal of chemical physics 125 (22), 224106, 2006
60712006
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
30812015
Assessment of a long-range corrected hybrid functional
OA Vydrov, GE Scuseria
The Journal of chemical physics 125 (23), 234109, 2006
19602006
Nonlocal van der Waals density functional: The simpler the better
OA Vydrov, T Van Voorhis
The Journal of chemical physics 133 (24), 244103, 2010
12172010
Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals
OA Vydrov, J Heyd, AV Krukau, GE Scuseria
The Journal of chemical physics 125 (7), 074106, 2006
10742006
Assessing the performance of recent density functionals for bulk solids
GI Csonka, JP Perdew, A Ruzsinszky, PHT Philipsen, S Lebègue, J Paier, ...
Physical Review B 79 (15), 155107, 2009
9842009
Tests of functionals for systems with fractional electron number
OA Vydrov, GE Scuseria, JP Perdew
The Journal of chemical physics 126 (15), 154109, 2007
7092007
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of Chemical Physics 155 (8), 084801, 2021
6992021
Spurious fractional charge on dissociated atoms: Pervasive and resilient self-interaction error of common density functionals
A Ruzsinszky, JP Perdew, GI Csonka, OA Vydrov, GE Scuseria
The Journal of chemical physics 125 (19), 194112, 2006
4822006
Nonlocal van der Waals density functional made simple
OA Vydrov, T Van Voorhis
Physical review letters 103 (6), 063004, 2009
4362009
Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for , , , and
A Ruzsinszky, JP Perdew, GI Csonka, OA Vydrov, GE Scuseria
The Journal of chemical physics 126 (10), 104102, 2007
3572007
Thermodynamic properties of 1-butyl-3-methylimidazolium hexafluorophosphate in the ideal gas state
YU Paulechka, GJ Kabo, AV Blokhin, OA Vydrov, JW Magee, M Frenkel
Journal of Chemical & Engineering Data 48 (3), 457-462, 2003
2662003
Effect of the Perdew–Zunger self-interaction correction on the thermochemical performance of approximate density functionals
OA Vydrov, GE Scuseria
The Journal of chemical physics 121 (17), 8187-8193, 2004
2092004
Scaling down the Perdew-Zunger self-interaction correction in many-electron regions
OA Vydrov, GE Scuseria, JP Perdew, A Ruzsinszky, GI Csonka
The Journal of chemical physics 124 (9), 094108, 2006
1652006
Improving the accuracy of the nonlocal van der Waals density functional with minimal empiricism
OA Vydrov, T Van Voorhis
The Journal of chemical physics 130 (10), 104105, 2009
1642009
Exchange and correlation in open systems of fluctuating electron number
JP Perdew, A Ruzsinszky, GI Csonka, OA Vydrov, GE Scuseria, ...
Physical Review A 76 (4), 040501, 2007
1642007
Dispersion interactions from a local polarizability model
OA Vydrov, T Van Voorhis
Physical Review A 81 (6), 062708, 2010
1462010
Assessment of long-range corrected functionals performance for transitions in organic dyes
D Jacquemin, EA Perpète, OA Vydrov, GE Scuseria, C Adamo
The Journal of chemical physics 127 (9), 094102, 2007
1402007
Ionization potentials and electron affinities in the Perdew–Zunger self-interaction corrected density-functional theory
OA Vydrov, GE Scuseria
The Journal of chemical physics 122 (18), 184107, 2005
1262005
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