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Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 13 Similar Profiles
orbitals Physics & Astronomy
Excitation energy Chemical Compounds
Density functional theory Chemical Compounds
density functional theory Physics & Astronomy
functionals Physics & Astronomy
excitation Physics & Astronomy
energy Physics & Astronomy
approximation Physics & Astronomy

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Research Output 1995 2018

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

Bond-breaking excitations with diverging coupling matrix of response density functional theory from highest-level functionals

van Meer, R. & Gritsenko, O. V., Jun 2018, In : European Physical Journal B. 91, 6, p. 1-6 6 p., 122

Research output: Contribution to JournalArticleAcademicpeer-review

functionals
Density functional theory
density functional theory
divergence
matrices

Comment on "nonuniqueness of algebraic first-order density-matrix functionals"

Gritsenko, O. V., 14 Feb 2018, In : Physical Review A. 97, 2, p. 1-2 2 p., 026501

Research output: Contribution to JournalReview articleAcademicpeer-review

functionals
occupation
orbitals
symmetry
prototypes
retarding
dissociation
augmentation
evaluation
electrons

Koopmans’ theorem and its density-functional-theory analog assessed in evaluation of the red shift of vertical ionization potential upon complexation

Gritsenko, O. V., Jan 2018, In : Chemical Physics Letters. 691, January, p. 178-180 3 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Ionization potential
Complexation
ionization potentials
red shift
Density functional theory

Activities 2000 2000

  • 1 Lecture / Presentation

Prizes

Journal of Chemical Physics Editor's choice

K.J.H. Giesbertz (Recipient), O. Gritsenko (Recipient) & E.J. Baerends (Recipient), 2012

Prize: Prize / AwardAcademic