Oleg Gritsenko

dr.

19952019
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  • 12 Similar Profiles
orbitals Physics & Astronomy
Excitation energy Chemical Compounds
Density functional theory Chemical Compounds
functionals Physics & Astronomy
density functional theory Physics & Astronomy
excitation Physics & Astronomy
energy Physics & Astronomy
occupation Physics & Astronomy

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Research Output 1995 2019

Approximating one-matrix functionals without generalized Pauli constraints

Gritsenko, O. V. & Pernal, K., 15 Jul 2019, In : Physical Review A. 100, p. 1-6 6 p., 012509.

Research output: Contribution to JournalArticleAcademicpeer-review

functionals
matrices
approximation
occupation
energy
space density
Density functional theory
prototypes
density functional theory
Molecules
Electron correlations
space density
Density functional theory
density functional theory
Carbon Monoxide

Symmetry dependence and universality of practical algebraic functionals in density-matrix-functional theory

Gritsenko, O. V., Wang, J. & Knowles, P. J., 24 Apr 2019, In : Physical Review A. 99, 4, p. 1-5 5 p., 042516.

Research output: Contribution to JournalArticleAcademicpeer-review

functionals
symmetry
dissociation
orbitals
ground state

A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions

van Meer, R., Gritsenko, O. V. & Baerends, E. J., 14 Mar 2018, In : Journal of Chemical Physics. 148, 10, p. 1-15 15 p., 104102.

Research output: Contribution to JournalArticleAcademicpeer-review

functionals
configuration interaction
orbitals
multipoles
Molecules

Activities 2000 2000

  • 1 Lecture / Presentation

Prizes

Journal of Chemical Physics Editor's choice

Klaas Giesbertz (Recipient), Oleg Gritsenko (Recipient) & E.J. Baerends (Recipient), 2012

PrizeAcademic