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Oleg A. Vydrov, Ph.D. - Publications

Affiliations: 
Rice University, Houston, TX 
Area:
Quantum Chemistry
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35 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, ... ... Vydrov O, et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801. PMID 34470363 DOI: 10.1063/5.0055522  0.591
2012 Vydrov OA, Van Voorhis T. Benchmark Assessment of the Accuracy of Several van der Waals Density Functionals. Journal of Chemical Theory and Computation. 8: 1929-34. PMID 26593827 DOI: 10.1021/Ct300081Y  0.46
2012 Vydrov OA, Van Voorhis T. Benchmark assessment of the accuracy of several Van der Waals density functionals Journal of Chemical Theory and Computation. 8: 1929-1934. DOI: 10.1021/ct300081y  0.343
2010 Vydrov OA, Van Voorhis T. Nonlocal van der Waals density functional: the simpler the better. The Journal of Chemical Physics. 133: 244103. PMID 21197972 DOI: 10.1063/1.3521275  0.489
2010 Vydrov OA, Van Voorhis T. Implementation and assessment of a simple nonlocal van der Waals density functional. The Journal of Chemical Physics. 132: 164113. PMID 20441264 DOI: 10.1063/1.3398840  0.473
2010 Vydrov OA, Van Voorhis T. Dispersion interactions from a local polarizability model Physical Review a - Atomic, Molecular, and Optical Physics. 81. DOI: 10.1103/Physreva.81.062708  0.403
2009 Vydrov OA, Van Voorhis T. Nonlocal van der Waals density functional made simple. Physical Review Letters. 103: 063004. PMID 19792562 DOI: 10.1103/Physrevlett.103.063004  0.476
2009 Evans JS, Vydrov OA, Van Voorhis T. Exchange and correlation in molecular wire conductance: nonlocality is the key. The Journal of Chemical Physics. 131: 034106. PMID 19624180 DOI: 10.1063/1.3179754  0.401
2009 Vydrov OA, Van Voorhis T. Publisher's Note: "Improving the accuracy of the nonlocal van der Waals density functional with minimal empiricism" [J. Chem. Phys. 130, 104105 (2009)]. The Journal of Chemical Physics. 131: 019904. PMID 19586130 DOI: 10.1063/1.3171927  0.425
2009 Vydrov OA, Van Voorhis T. Improving the accuracy of the nonlocal van der Waals density functional with minimal empiricism. The Journal of Chemical Physics. 130: 104105. PMID 19292521 DOI: 10.1063/1.3079684  0.522
2009 Perdew JP, Ruzsinszky A, Csonka GI, Vydrov OA, Scuseria GE, Constantin LA, Zhou X, Burke K. Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)] Physical Review Letters. 102. DOI: 10.1103/Physrevlett.102.039902  0.526
2009 Csonka GI, Perdew JP, Ruzsinszky A, Philipsen PHT, Lebègue S, Paier J, Vydrov OA, Ángyán JG. Assessing the performance of recent density functionals for bulk solids Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.155107  0.47
2008 Vydrov OA, Wu Q, Van Voorhis T. Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set. The Journal of Chemical Physics. 129: 014106. PMID 18624469 DOI: 10.1063/1.2948400  0.52
2008 Perdew JP, Ruzsinszky A, Csonka GI, Vydrov OA, Scuseria GE, Constantin LA, Zhou X, Burke K. Restoring the density-gradient expansion for exchange in solids and surfaces. Physical Review Letters. 100: 136406. PMID 18517979 DOI: 10.1103/Physrevlett.100.136406  0.56
2008 Perdew JP, Ruzsinszky A, Csonka GI, Vydrov OA, Scuseria GE, Constantin LA, Zhou X, Burke K. Perdew et al. Reply: Physical Review Letters. 101. DOI: 10.1103/Physrevlett.101.239702  0.364
2008 Perdew JP, Ruzsinszky A, Csonka GI, Vydrov OA, Scuseria GE, Constantin LA, Zhou X, Burke K. Restoring the density-gradient expansion for exchange in solids and surfaces Physical Review Letters. 100. DOI: 10.1103/PhysRevLett.100.136406  0.46
2008 Ruzsinszky A, Perdew JP, Csonka GI, Scuseria GE, Vydrov OA. Understanding and correcting the self-interaction error in the electrical response of hydrogen chains Physical Review a - Atomic, Molecular, and Optical Physics. 77. DOI: 10.1103/Physreva.77.060502  0.551
2007 Jacquemin D, Perpète EA, Vydrov OA, Scuseria GE, Adamo C. Assessment of long-range corrected functionals performance for n-->pi* transitions in organic dyes. The Journal of Chemical Physics. 127: 094102. PMID 17824727 DOI: 10.1063/1.2770700  0.566
2007 Csonka GI, Vydrov OA, Scuseria GE, Ruzsinszky A, Perdew JP. Diminished gradient dependence of density functionals: constraint satisfaction and self-interaction correction. The Journal of Chemical Physics. 126: 244107. PMID 17614537 DOI: 10.1063/1.2743985  0.617
2007 Vydrov OA, Scuseria GE, Perdew JP. Tests of functionals for systems with fractional electron number. The Journal of Chemical Physics. 126: 154109. PMID 17461616 DOI: 10.1063/1.2723119  0.599
2007 Ruzsinszky A, Perdew JP, Csonka GI, Vydrov OA, Scuseria GE. Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+. The Journal of Chemical Physics. 126: 104102. PMID 17362056 DOI: 10.1063/1.2566637  0.557
2007 Perdew JP, Ruzsinszky A, Csonka GI, Vydrov OA, Scuseria GE, Staroverov VN, Tao J. Exchange and correlation in open systems of fluctuating electron number Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/Physreva.76.040501  0.693
2007 Csonka GI, Vydrov OA, Scuseria GE, Ruzsinszky A, Perdew JP. Diminished gradient dependence of density functionals: Constraint satisfaction and self-interaction correction Journal of Chemical Physics. 126. DOI: 10.1063/1.2743985  0.519
2007 Vydrov OA, Scuseria GE, Perdew JP. Tests of functionals for systems with fractional electron number Journal of Chemical Physics. 126. DOI: 10.1063/1.2723119  0.432
2007 Ruzsinszky A, Perdew JP, Csonka GI, Vydrov OA, Scuseria GE. Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, Li H+, and Ne2+ Journal of Chemical Physics. 126. DOI: 10.1063/1.2566637  0.463
2006 Vydrov OA, Scuseria GE. Assessment of a long-range corrected hybrid functional. The Journal of Chemical Physics. 125: 234109. PMID 17190549 DOI: 10.1063/1.2409292  0.589
2006 Krukau AV, Vydrov OA, Izmaylov AF, Scuseria GE. Influence of the exchange screening parameter on the performance of screened hybrid functionals. The Journal of Chemical Physics. 125: 224106. PMID 17176133 DOI: 10.1063/1.2404663  0.668
2006 Ruzsinszky A, Perdew JP, Csonka GI, Vydrov OA, Scuseria GE. Spurious fractional charge on dissociated atoms: pervasive and resilient self-interaction error of common density functionals. The Journal of Chemical Physics. 125: 194112. PMID 17129094 DOI: 10.1063/1.2387954  0.58
2006 Vydrov OA, Heyd J, Krukau AV, Scuseria GE. Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals. The Journal of Chemical Physics. 125: 074106. PMID 16942321 DOI: 10.1063/1.2244560  0.694
2006 Vydrov OA, Scuseria GE. A simple method to selectively scale down the self-interaction correction. The Journal of Chemical Physics. 124: 191101. PMID 16729796 DOI: 10.1063/1.2204599  0.59
2006 Vydrov OA, Scuseria GE, Perdew JP, Ruzsinszky A, Csonka GI. Scaling down the Perdew-Zunger self-interaction correction in many-electron regions. The Journal of Chemical Physics. 124: 94108. PMID 16526846 DOI: 10.1063/1.2176608  0.606
2006 Ruzsinszky A, Perdew JP, Csonka GI, Vydrov OA, Scuseria GE. Spurious fractional charge on dissociated atoms: Pervasive and resilient self-interaction error of common density functionals Journal of Chemical Physics. 125. DOI: 10.1063/1.2387954  0.507
2006 Vydrov OA, Scuseria GE, Perdew JP, Ruzsinszky A, Csonka GI. Scaling down the Perdew-Zunger self-interaction correction in many-electron regions Journal of Chemical Physics. 124. DOI: 10.1063/1.2176608  0.421
2005 Vydrov OA, Scuseria GE. Ionization potentials and electron affinities in the Perdew-Zunger self-interaction corrected density-functional theory. The Journal of Chemical Physics. 122: 184107. PMID 15918694 DOI: 10.1063/1.1897378  0.611
2004 Vydrov OA, Scuseria GE. Effect of the Perdew-Zunger self-interaction correction on the thermochemical performance of approximate density functionals. The Journal of Chemical Physics. 121: 8187-93. PMID 15511137 DOI: 10.1063/1.1794633  0.612
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