Klaas Giesbertz

dr.

20072019
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  • 17 Similar Profiles
Density functional theory Chemical Compounds
density functional theory Physics & Astronomy
Excitation energy Chemical Compounds
Electrons Chemical Compounds
Wave functions Chemical Compounds
orbitals Physics & Astronomy
functionals Physics & Astronomy
occupation Physics & Astronomy

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Research Output 2007 2019

  • 25 Article
  • 2 Chapter
  • 1 Review article
  • 1 PhD Thesis - Research VU, graduation VU

Functional derivative of the zero-point-energy functional from the strong-interaction limit of density-functional theory

Grossi, J., Seidl, M., Gori-Giorgi, P. & Giesbertz, K. J. H., 9 May 2019, In : Physical Review A. 99, 5, 11 p., 052504.

Research output: Contribution to JournalArticleAcademicpeer-review

zero point energy
density functional theory
sum rules
electrons
dissociation

One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures

Giesbertz, K. J. H. & Ruggenthaler, M., 12 Feb 2019, In : Physics Reports. p. 1-47 47 p.

Research output: Contribution to JournalReview articleAcademicpeer-review

Open Access
File
density functional theory
temperature
constrictions
bosons
interactions

Approximate energy functionals for one-body reduced density matrix functional theory from many-body perturbation theory

Giesbertz, K. J. H., Uimonen, A-M. & van Leeuwen, R., 2018, In : European Physical Journal B. p. 282 17 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Green's function
functionals
perturbation theory
Green's functions
Hamiltonians

Sum-rules of the response potential in the strongly-interacting limit of DFT

Giarrusso, S., Gori-Giorgi, P. & Giesbertz, K. J. H., Aug 2018, In : European Physical Journal B. 91, p. 1-6 6 p., 186.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Discrete Fourier transforms
sum rules
Density functional theory
density functional theory
Excitation energy

Fermionic Statistics in the Strongly Correlated Limit of Density Functional Theory

Grossi, J., Kooi, D. P., Giesbertz, K. J. H., Seidl, M., Cohen, A. J., Mori-Sánchez, P. & Gori-Giorgi, P., 12 Dec 2017, In : Journal of Chemical Theory and Computation. 13, 12, p. 6089-6100 12 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Electron-electron interactions
Density functional theory
Statistics
statistics
density functional theory

Prizes

Journal of Chemical Physics Editor's choice

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

PrizeAcademic

Journal of Chemical Physics Editor's choice

Klaas Giesbertz (Recipient) & Robert van Leeuwen (Recipient), 2013

PrizeAcademic