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The Journal of Chemical Physics
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July 25, 2016
Comment on "Kohn-Sham exchange-correlation potentials from second-order reduced density matrices" [J. Chem. Phys. 143, 244116 (2015)]
Evert Jan Baerends, Oleg Gritsenko
The Journal of Chemical Physics
|
July 21, 2004
Asymptotic correction of the exchange-correlation kernel of time-dependent density functional theory for long-range charge-transfer excitations
Oleg Gritsenko, Evert Jan Baerends
The Journal of Chemical Physics
|
February 14, 2006
A simple natural orbital mechanism of "pure" van der Waals interaction in the lowest excited triplet state of the hydrogen molecule
Oleg Gritsenko, Evert Jan Baerends
The Journal of Chemical Physics
|
June 16, 2006
Assessment of a simple correction for the long-range charge-transfer problem in time-dependent density-functional theory
Johannes Neugebauer, Oleg Gritsenko, Evert Jan Baerends
The Journal of Chemical Physics
|
June 11, 2005
An improved density matrix functional by physically motivated repulsive corrections
Oleg Gritsenko, Katarzyna Pernal, Evert Jan Baerends
The Journal of Chemical Physics
|
December 11, 2007
Adiabatic approximation of time-dependent density matrix functional response theory
Katarzyna Pernal, Klaas Giesbertz, Oleg Gritsenko, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2022
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
Andrew M Teale, Trygve Helgaker, Andreas Savin, et al.
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of 1
Search research articles
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Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
July 25, 2016
Comment on "Kohn-Sham exchange-correlation potentials from second-order reduced density matrices" [J. Chem. Phys. 143, 244116 (2015)]
Evert Jan Baerends, Oleg Gritsenko
The Journal of Chemical Physics
|
July 21, 2004
Asymptotic correction of the exchange-correlation kernel of time-dependent density functional theory for long-range charge-transfer excitations
Oleg Gritsenko, Evert Jan Baerends
The Journal of Chemical Physics
|
February 14, 2006
A simple natural orbital mechanism of "pure" van der Waals interaction in the lowest excited triplet state of the hydrogen molecule
Oleg Gritsenko, Evert Jan Baerends
The Journal of Chemical Physics
|
June 16, 2006
Assessment of a simple correction for the long-range charge-transfer problem in time-dependent density-functional theory
Johannes Neugebauer, Oleg Gritsenko, Evert Jan Baerends
The Journal of Chemical Physics
|
June 11, 2005
An improved density matrix functional by physically motivated repulsive corrections
Oleg Gritsenko, Katarzyna Pernal, Evert Jan Baerends
The Journal of Chemical Physics
|
December 11, 2007
Adiabatic approximation of time-dependent density matrix functional response theory
Katarzyna Pernal, Klaas Giesbertz, Oleg Gritsenko, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 21, 2022
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
Andrew M Teale, Trygve Helgaker, Andreas Savin, et al.
Page
of 1