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O

O. V. Gritsenko

Vrije Universiteit Amsterdam

46H指数
144论文数
9.6K被引数
收录论文 39
发表时间
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Molecular multibond dissociation with small complete active space augmented by correlation density functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-28
err4
PREAI
errHapka, Michal; Pernal, Katarzyna; Gritsenko, Oleg V.
err分享
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Embracing local suppression and enhancement of dynamic correlation effects in a CASπDFT method for efficient description of excited states
errFARADAY DISCUSSIONS
IF3.1
err2020-01-01
err3
PREAI
errPernal, Katarzyna; Gritsenko, Oleg V.
err分享
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Reproducing benchmark potential energy curves of molecular bond dissociation with small complete active space aided with density and density-matrix functional corrections
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-10-30
err8
PREAI
errPernal, Katarzyna; Gritsenko, Oleg V.; van Meer, Robert
err分享
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Complete active space and corrected density functional theories helping each other to describe vertical electronic π → π* excitations in prototype multiple-bonded molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-07-12
err9
PREAI
errGritsenko, Oleg V.; Pernal, Katarzyna
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A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-03-09
err20
errOAAI
errvan Meer, R.; Gritsenko, O. V.; Baerends, E. J.
err分享
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Natural excitation orbitals from linear response theories: Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-01-31
err12
PREAI
errvan Meer, R.; Gritsenko, O. V.; Baerends, E. J.
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Comment on Kohn-Sham exchange-correlation potentials from second-order reduced density matrices [J. Chem. Phys. 143, 244116 (2015)]
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-07-21
err11
errOAAI
errBaerends, Evert Jan; Gritsenko, Oleg
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On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-05-26
err59
PREAI
errGritsenko, O. V.; Mentel, L. M.; Baerends, E. J.
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Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-09-30
err198
errOAAI
errvan Meer, R.; Gritsenko, O. V.; Baerends, E. J.
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The density matrix functional approach to electron correlation: Dynamic and nondynamic correlation along the full dissociation coordinate
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-06-03
err31
errOAAI
errMentel, L. M.; van Meer, R.; Gritsenko, O. V.; Baerends, E. J.
err分享
err收藏
Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-01-08
err14
PREAI
errvan Meer, R.; Gritsenko, O. V.; Baerends, E. J.
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A natural orbital analysis of the long range behavior of chemical bonding and van der Waals interaction in singlet H2: The issue of zero natural orbital occupation numbers
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-04-22
err16
PREAI
errSheng, X. W.; Mentel, L. M.; Gritsenko, O. V.; Baerends, E. J.
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Oscillator strengths of electronic excitations with response theory using phase including natural orbital functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-03-07
err16
errOAAI
errvan Meer, R.; Gritsenko, O. V.; Giesbertz, K. J. H.; Baerends, E. J.
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On the formulation of a density matrix functional for Van der Waals interaction of like- and opposite-spin electrons in the helium dimer
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-11-28
err8
PREAI
errMentel, L. M.; Sheng, X. W.; Gritsenko, O. V.; Baerends, E. J.
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Response calculations based on an independent particle system with the exact one-particle density matrix: Excitation energies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-03-02
err34
errOAAI
errGiesbertz, K. J. H.; Gritsenko, O. V.; Baerends, E. J.
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err收藏
Counterpoise Correction is Not Useful for Short and Van der Waals Distances but May Be Useful at Long Range
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2011-07-06
err53
PREAI
errSheng, Xiao Wei; Mentel, Lukasz; Gritsenko, Oleg V.; Baerends, Evert Jan
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err收藏
The adiabatic approximation in time-dependent density matrix functional theory: Response properties from dynamics of phase-including natural orbitals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2010-11-04
err30
PREAI
errGiesbertz, K. J. H.; Gritsenko, O. V.; Baerends, E. J.
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Excitation energies with time-dependent density matrix functional theory: Singlet two-electron systems具有随时间变化的密度矩阵泛函理论的激发能: 单重态两电子系统
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-03-19
err51
errOAAI
errGiesbertz, K. J. H.; Pernal, K.; Gritsenko, O. V.; Baerends, E. J.
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A density matrix functional with occupation number driven treatment of dynamical and nondynamical correlation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-10-23
err102
errOAAI
errRohr, Daniel R.; Pernal, Katarzyna; Gritsenko, Oleg V.; Baerends, Evert Jan
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Adiabatic approximation of time-dependent density matrix functional response theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-12-03
err41
errOAAI
errPernal, Katarzyna; Giesbertz, Klaas; Gritsenko, Oleg; Baerends, Evert Jan
err分享
err收藏

研究方向

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A
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J
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D
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H 指数: 38 · 论文数: 265
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