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O V Gritsenko

Showing results (1-10 of 22) with videos related to

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Physical Chemistry Chemical Physics : PCCP|March 19, 2016
Time-dependent Dyson orbital theoryO V Gritsenko, E J Baerends
The Journal of Chemical Physics|July 23, 2004
The spin-unrestricted molecular Kohn-Sham solution and the analogue of Koopmans's theorem for open-shell moleculesO V Gritsenko, E J Baerends
The Journal of Chemical Physics|August 27, 2005
Away from generalized gradient approximation: orbital-dependent exchange-correlation functionalsE J Baerends, O V Gritsenko
The Journal of Chemical Physics|February 3, 2017
Natural excitation orbitals from linear response theories: Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theoryR van Meer, O V Gritsenko, E J Baerends
The Journal of Chemical Physics|January 21, 2014
Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systemsR van Meer, O V Gritsenko, E J Baerends
Physical Chemistry Chemical Physics : PCCP|September 5, 2013
The Kohn-Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn-Sham orbital energiesE J Baerends, O V Gritsenko, R van Meer
The Journal of Chemical Physics|June 3, 2016
On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energiesO V Gritsenko, Ł M Mentel, E J Baerends
Kardiologiia|July 31, 2023
[The role of epicardial obesity in the development of left ventricular diastolic dysfunction]O V Gritsenko, G A Chumakova, E V Trubina
Journal of Chemical Theory and Computation|November 21, 2015
Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular ExcitationsR van Meer, O V Gritsenko, E J Baerends
The Journal of Chemical Physics|March 17, 2018
A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansionsR van Meer, O V Gritsenko, E J Baerends
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
Physical Chemistry Chemical Physics : PCCP|March 19, 2016
Time-dependent Dyson orbital theoryO V Gritsenko, E J Baerends
The Journal of Chemical Physics|July 23, 2004
The spin-unrestricted molecular Kohn-Sham solution and the analogue of Koopmans's theorem for open-shell moleculesO V Gritsenko, E J Baerends
The Journal of Chemical Physics|August 27, 2005
Away from generalized gradient approximation: orbital-dependent exchange-correlation functionalsE J Baerends, O V Gritsenko
The Journal of Chemical Physics|February 3, 2017
Natural excitation orbitals from linear response theories: Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theoryR van Meer, O V Gritsenko, E J Baerends
The Journal of Chemical Physics|January 21, 2014
Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systemsR van Meer, O V Gritsenko, E J Baerends
Physical Chemistry Chemical Physics : PCCP|September 5, 2013
The Kohn-Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn-Sham orbital energiesE J Baerends, O V Gritsenko, R van Meer
The Journal of Chemical Physics|June 3, 2016
On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energiesO V Gritsenko, Ł M Mentel, E J Baerends
Kardiologiia|July 31, 2023
[The role of epicardial obesity in the development of left ventricular diastolic dysfunction]O V Gritsenko, G A Chumakova, E V Trubina
Journal of Chemical Theory and Computation|November 21, 2015
Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular ExcitationsR van Meer, O V Gritsenko, E J Baerends
The Journal of Chemical Physics|March 17, 2018
A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansionsR van Meer, O V Gritsenko, E J Baerends
Pageof 3