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Klaas Giesbertz
Klaas Giesbertz
Universitair Docent, Vrije Universiteit
Bestätigte E-Mail-Adresse bei vu.nl - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Reduced density matrix functional theory (RDMFT) and linear response time-dependent RDMFT (TD-RDMFT)
K Pernal, KJH Giesbertz
Density-Functional Methods for Excited States, 125-183, 2016
1022016
Charge transfer, double and bond-breaking excitations with time-dependent density matrix functional theory
KJH Giesbertz, EJ Baerends, OV Gritsenko
Physical review letters 101 (3), 033004, 2008
922008
This is an electronic reprint of the original article. This reprint may differ from the original in pagination and typographic detail.
R van Meer, OV Gritsenko, K Giesbertz, EJ Baerends
The Journal of Chemical Physics 138, 094114, 2013
79*2013
Excitation energies with time-dependent density matrix functional theory: Singlet two-electron systems
KJH Giesbertz, K Pernal, OV Gritsenko, EJ Baerends
The Journal of chemical physics 130 (11), 2009
702009
Aufbau derived from a unified treatment of occupation numbers in Hartree–Fock, Kohn–Sham, and natural orbital theories with the Karush–Kuhn–Tucker conditions for the inequality …
KJH Giesbertz, EJ Baerends
The Journal of chemical physics 132 (19), 2010
552010
Natural occupation numbers: When do they vanish?
KJH Giesbertz, R van Leeuwen
The Journal of Chemical Physics 139 (10), 2013
522013
Response calculations with an independent particle system with an exact one-particle density matrix
KJH Giesbertz, OV Gritsenko, EJ Baerends
Physical review letters 105 (1), 013002, 2010
522010
Adiabatic approximation of time-dependent density matrix functional response theory
K Pernal, K Giesbertz, O Gritsenko, EJ Baerends
The Journal of chemical physics 127 (21), 2007
502007
Exchange–correlation functionals from the strong interaction limit of DFT: applications to model chemical systems
F Malet, A Mirtschink, KJH Giesbertz, LO Wagner, P Gori-Giorgi
Physical Chemistry Chemical Physics 16 (28), 14551-14558, 2014
472014
Density-potential mappings in quantum dynamics
M Ruggenthaler, KJH Giesbertz, M Penz, R van Leeuwen
Physical Review A 85 (5), 052504, 2012
422012
One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures
KJH Giesbertz, M Ruggenthaler
Physics Reports 806, 1-47, 2019
412019
Response calculations based on an independent particle system with the exact one-particle density matrix: Excitation energies
KJH Giesbertz, OV Gritsenko, EJ Baerends
The Journal of chemical physics 136 (9), 094104, 2012
392012
The adiabatic approximation in time-dependent density matrix functional theory: Response properties from dynamics of phase-including natural orbitals
KJH Giesbertz, OV Gritsenko, EJ Baerends
The Journal of chemical physics 133 (17), 174119, 2010
382010
Are natural orbitals useful for generating an efficient expansion of the wave function?
KJH Giesbertz
Chemical Physics Letters 591, 220-226, 2014
312014
Time-dependent one-body reduced density matrix functional theory: Adiabatic approximations and beyond
KJH Giesbertz
312010
The strictly-correlated electron functional for spherically symmetric systems revisited
M Seidl, S Di Marino, A Gerolin, L Nenna, KJH Giesbertz, P Gori-Giorgi
arXiv preprint arXiv:1702.05022, 2017
262017
Fermionic statistics in the strongly correlated limit of Density Functional Theory
J Grossi, DP Kooi, KJH Giesbertz, M Seidl, AJ Cohen, P Mori-Sánchez, ...
Journal of chemical theory and computation 13 (12), 6089-6100, 2017
252017
Long-range interactions and the sign of natural amplitudes in two-electron systems
KJH Giesbertz, R van Leeuwen
The Journal of chemical physics 139 (10), 104110, 2013
252013
Towards nonlocal density functionals by explicit modeling of the exchange-correlation hole in inhomogeneous systems
KJH Giesbertz, R van Leeuwen, U von Barth
Physical Review A 87 (2), 022514, 2013
212013
Large coupling-strength expansion of the Møller–Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms
TJ Daas, J Grossi, S Vuckovic, ZH Musslimani, DP Kooi, M Seidl, ...
The Journal of Chemical Physics 153 (21), 214112, 2020
202020
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