| 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 | 108 | 2016 |
| 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 | 92 | 2008 |
| 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 | 91* | 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 | 68 | 2009 |
| 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 | 56 | 2010 |
| Natural occupation numbers: When do they vanish? KJH Giesbertz, R van Leeuwen The Journal of Chemical Physics 139 (10), 2013 | 53 | 2013 |
| 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 | 51 | 2010 |
| 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 | 51 | 2007 |
| 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 | 49 | 2014 |
| Density-potential mappings in quantum dynamics M Ruggenthaler, KJH Giesbertz, M Penz, R van Leeuwen Physical Review A—Atomic, Molecular, and Optical Physics 85 (5), 052504, 2012 | 45 | 2012 |
| One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures KJH Giesbertz, M Ruggenthaler Physics Reports 806, 1-47, 2019 | 43 | 2019 |
| 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 | 40 | 2012 |
| 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 | 37 | 2010 |
| Are natural orbitals useful for generating an efficient expansion of the wave function? KJH Giesbertz Chemical Physics Letters 591, 220-226, 2014 | 33 | 2014 |
| 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 | 32 | 2017 |
| Time-dependent one-body reduced density matrix functional theory: Adiabatic approximations and beyond KJH Giesbertz | 31 | 2010 |
| 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 | 28 | 2017 |
| Light–Matter Hybrid-Orbital-Based First-Principles Methods: The Influence of Polariton Statistics F Buchholz, I Theophilou, KJH Giesbertz, M Ruggenthaler, A Rubio Journal of chemical theory and computation 16 (9), 5601-5620, 2020 | 26 | 2020 |
| 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 | 26 | 2013 |
| 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 | 23 | 2020 |
Evert Jan BaerendsProfessor of Theoretical Chemistry, Vrije Universiteit, AmsterdamVerified email at vu.nl