E-LIB Suche - Ergebnisse für: Giesbertz, Klaas

1

Relativistic reduced density matrix functional theory:

Rodríguez-Mayorga, Mauricio ; Giesbertz, Klaas ; Visscher, L.
SciPost Chemistry. 1 (2022) 2 - p. , 2022

Link: https://doi.org/10.21468..

2

Adiabatic approximation of time-dependent density matrix fu..:

Pernal, Katarzyna ; Giesbertz, Klaas ; Gritsenko, Oleg.
The Journal of Chemical Physics. 127 (2007) 21 - p. , 2007

Link: https://doi.org/10.1063/..

3

Optimal Transport Distances to Characterize Electronic Exci..:

Lieberherr, Annina Z. ; Gori-Giorgi, Paola ; Giesbertz, Klaas J. H.
Journal of Chemical Theory and Computation. 20 (2024) 13 - p. 5635-5642 , 2024

Link: https://doi.org/10.1021/..

4

Exploiting the Hessian for a Better Convergence of the SCF-..:

Cartier, Nicolas G. ; Giesbertz, Klaas J. H.
Journal of Chemical Theory and Computation. 20 (2024) 9 - p. 3669-3682 , 2024

Link: https://doi.org/10.1021/..

5

Secondary Kinetic Peak in the Kohn–Sham Potential and Its C..:

Giarrusso, Sara ; Neugarten, Roeland ; Baerends, Evert Jan.
Journal of Chemical Theory and Computation. 18 (2022) 8 - p. 4762-4773 , 2022

Link: https://doi.org/10.1021/..

6

Real-space Mott-Anderson electron localization with long-ra..:

Marie, Antoine ; Kooi, Derk P. ; Grossi, Juri...
Physical Review Research. 4 (2022) 4 - p. , 2022

Link: https://doi.org/10.1103/..

7

Erratum: "Large coupling-strength expansion of the Møller–P..:

Daas, Kimberly J. ; Grossi, Juri ; Vuckovic, Stefan...
The Journal of Chemical Physics. 154 (2021) 18 - p. , 2021

Link: https://doi.org/10.1063/..

8

Light–Matter Hybrid-Orbital-Based First-Principles Methods:..:

Buchholz, Florian ; Theophilou, Iris ; Giesbertz, Klaas J. H...
Journal of Chemical Theory and Computation. 16 (2020) 9 - p. 5601-5620 , 2020

Link: https://doi.org/10.1021/..

9

Large coupling-strength expansion of the Møller–Plesset adi..:

Daas, Kimberly J. ; Grossi, Juri ; Vuckovic, Stefan...
The Journal of Chemical Physics. 153 (2020) 21 - p. , 2020

Link: https://doi.org/10.1063/..

10

One-body reduced density-matrix functional theory in finite..:

Giesbertz, Klaas J.H. ; Ruggenthaler, Michael
Physics Reports. 806 (2019) - p. 1-47 , 2019

Link: https://doi.org/10.1016/..

11

Functional derivative of the zero-point-energy functional f..:

Grossi, Juri ; Seidl, Michael ; Gori-Giorgi, Paola.
Physical Review A. 99 (2019) 5 - p. , 2019

Link: https://doi.org/10.1103/..

12

Sum-rules of the response potential in the strongly-interac..:

Giarrusso, Sara ; Gori-Giorgi, Paola ; Giesbertz, Klaas J. H.
The European Physical Journal B. 91 (2018) 8 - p. , 2018

Link: https://doi.org/10.1140/..

13

Approximate energy functionals for one-body reduced density..:

Giesbertz, Klaas J. H. ; Uimonen, Anna-Maija ; van Leeuwen, Robert
The European Physical Journal B. 91 (2018) 11 - p. , 2018

Link: https://doi.org/10.1140/..

14

Fermionic Statistics in the Strongly Correlated Limit of De..:

Grossi, Juri ; Kooi, Derk P. ; Giesbertz, Klaas J. H....
Journal of Chemical Theory and Computation. 13 (2017) 12 - p. 6089-6100 , 2017

Link: https://doi.org/10.1021/..

15

Avoiding the 4-index transformation in one-body reduced den..:

Giesbertz, Klaas J. H.
Physical Chemistry Chemical Physics. 18 (2016) 31 - p. 21024-21031 , 2016

Link: https://doi.org/10.1039/..