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
11280 2008 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
6424 2006 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
3202 2015 Assessment of a long-range corrected hybrid functional OA Vydrov, GE Scuseria
The Journal of chemical physics 125 (23), 234109, 2006
2010 2006 Nonlocal van der Waals density functional: The simpler the better OA Vydrov, T Van Voorhis
The Journal of chemical physics 133 (24), 244103, 2010
1274 2010 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
1097 2006 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
1033 2009 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
838 2021 Tests of functionals for systems with fractional electron number OA Vydrov, GE Scuseria, JP Perdew
The Journal of chemical physics 126 (15), 154109, 2007
723 2007 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
491 2006 Nonlocal van der Waals density functional made simple OA Vydrov, T Van Voorhis
Physical review letters 103 (6), 063004, 2009
445 2009 Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for A Ruzsinszky, JP Perdew, GI Csonka, OA Vydrov, GE Scuseria
The Journal of chemical physics 126 (10), 104102, 2007
362 2007 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
267 2003 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
212 2004 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
169 2006 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
166 2007 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
165 2009 Dispersion interactions from a local polarizability model OA Vydrov, T Van Voorhis
Physical Review A 81 (6), 062708, 2010
146 2010 Assessment of long-range corrected functionals performance for D Jacquemin, EA Perpète, OA Vydrov, GE Scuseria, C Adamo
The Journal of chemical physics 127 (9), 094102, 2007
141 2007 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
129 2005 