| 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 | 10625 | 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 | 6071 | 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 | 3081 | 2015 |
| Assessment of a long-range corrected hybrid functional OA Vydrov, GE Scuseria The Journal of chemical physics 125 (23), 234109, 2006 | 1960 | 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 | 1217 | 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 | 1074 | 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 | 984 | 2009 |
| Tests of functionals for systems with fractional electron number OA Vydrov, GE Scuseria, JP Perdew The Journal of chemical physics 126 (15), 154109, 2007 | 709 | 2007 |
| 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 | 699 | 2021 |
| 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 | 482 | 2006 |
| Nonlocal van der Waals density functional made simple OA Vydrov, T Van Voorhis Physical review letters 103 (6), 063004, 2009 | 436 | 2009 |
| 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 | 357 | 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 | 266 | 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 | 209 | 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 | 165 | 2006 |
| 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 | 164 | 2009 |
| 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 | 164 | 2007 |
| 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 transitions in organic dyes D Jacquemin, EA Perpète, OA Vydrov, GE Scuseria, C Adamo The Journal of chemical physics 127 (9), 094102, 2007 | 140 | 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 | 126 | 2005 |
