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Oleg V Gritsenko

4PUBLICATIONS

3CO-AUTHORS

Theoretical quantum chemistry

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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<sup>*</sup> 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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Frequent Collaborators

2 joint publications

Katarzyna Pernal

1 joint publications

Robert van Meer

1 joint publications

Michał Hapka

Frequent Collaborators

2 joint publications

Katarzyna Pernal

1 joint publications

Robert van Meer

1 joint publications

Michał Hapka

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