Oleg V Gritsenko
4PUBLICATIONS
3CO-AUTHORS
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Publications (4)
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|Jun 04, 2020
Molecular multibond dissociation with small complete active space augmented by correlation density functionals.Michał Hapka, Katarzyna Pernal, Oleg V Gritsenko
|Nov 03, 2019
Reproducing benchmark potential energy curves of molecular bond dissociation with small complete active space aided with density and density-matrix functional corrections.Katarzyna Pernal, Oleg V Gritsenko, Robert van Meer
|Jul 15, 2019
Complete active space and corrected density functional theories helping each other to describe vertical electronic π → π* excitations in prototype multiple-bonded molecules.Oleg V Gritsenko, Katarzyna Pernal
|Mar 17, 2018
A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions.R van Meer, O V Gritsenko, E J Baerends
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