Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao , Zhengting Gan , Evgeny Epifanovsky , Andrew TB Gilbert
Molecular Physics 113 ( 2) 184 -215
2,690
2015
Historical data replay utilizing a computer system
David R Kent IV , Ryan Caudy , Charles Wright , Oleg Vydrov
76
2019
Historical data replay utilizing a computer system
David R Kent IV , Ryan Caudy , Charles Wright , Oleg Vydrov
16
2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky , Andrew TB Gilbert , Xintian Feng , Joonho Lee
The Journal of chemical physics 155 ( 8)
285
2021
Correcting the Self-Interaction Error of Approximate Density Functionals
Oleg A. Vydrov
Ph.D. Thesis
4
2007
Nonlocal van der Waals density functional: The simpler the better
Oleg A. Vydrov , Troy Van Voorhis
Journal of Chemical Physics 133 ( 24) 244103 -244103
1,058
2010
Exchange and correlation in open systems of fluctuating electron number
John P. Perdew , Adrienn Ruzsinszky , Gábor I. Csonka , Oleg A. Vydrov
Physical Review A 76 ( 4) 040501
134
2007
Understanding and correcting the self-interaction error in the electrical response of hydrogen chains
Adrienn Ruzsinszky , John P. Perdew , Gábor I. Csonka , Gustavo E. Scuseria
Physical Review A 77 ( 6) 060502
49
2008
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
John P. Perdew , Adrienn Ruzsinszky , Gábor I. Csonka , Oleg A. Vydrov
Physical Review Letters 100 ( 13) 136406
8,618
2008
Effect of the Perdew-Zunger self-interaction correction on the thermochemical performance of approximate density functionals.
Oleg A. Vydrov , Gustavo E. Scuseria
Journal of Chemical Physics 121 ( 17) 8187 -8193
134
2004
A simple method to selectively scale down the self-interaction correction
Oleg A. Vydrov , Gustavo E. Scuseria
Journal of Chemical Physics 124 ( 19) 191101 -191101
39
2006
Dispersion interactions from a local polarizability model
Oleg A. Vydrov , Troy Van Voorhis
Physical Review A 81 ( 6) 062708
103
2010
Ionization potentials and electron affinities in the Perdew-Zunger self-interaction corrected density-functional theory.
Oleg A. Vydrov , Gustavo E. Scuseria
Journal of Chemical Physics 122 ( 18) 184107 -184107
93
2005
Diminished gradient dependence of density functionals: Constraint satisfaction and self-interaction correction
Gábor I. Csonka , Oleg A. Vydrov , Gustavo E. Scuseria , Adrienn Ruzsinszky
The Journal of Chemical Physics 126 ( 24) 244107 -244107
27
2007
Benchmark Assessment of the Accuracy of Several van der Waals Density Functionals
Oleg A. Vydrov , Troy Van Voorhis
Journal of Chemical Theory and Computation 8 ( 6) 1929 -1934
87
2012
Tests of functionals for systems with fractional electron number
Oleg A. Vydrov , Gustavo E. Scuseria , John P. Perdew
The Journal of Chemical Physics 126 ( 15) 154109
658
2007
Assessment of long-range corrected functionals performance for n→π* transitions in organic dyes
Denis Jacquemin , Eric A. Perpète , Oleg A. Vydrov , Gustavo E. Scuseria
Journal of Chemical Physics 127 ( 9) 094102 -094102
104
2007
Implementation and Assessment of a Simple Nonlocal van der Waals Density Functional
Oleg A. Vydrov , Troy Van Voorhis
Journal of Chemical Physics 132 ( 16) 164113
69
2010
Vydrov and Van Voorhis Reply
Oleg A. Vydrov , Troy Van Voorhis
Physical Review Letters 104 ( 9) 099304
16
2010
Assessing the performance of recent density functionals for bulk solids
Gábor I. Csonka , John P. Perdew , Adrienn Ruzsinszky , Pier H. T. Philipsen
Physical Review B 79 ( 15) 155107
470
2009