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Physical Chemistry Chemical Physics : PCCP
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February 25, 2016
Avoiding the 4-index transformation in one-body reduced density matrix functional calculations for separable functionals
Klaas J H Giesbertz
Topics in Current Chemistry
|
May 15, 2015
Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time-Dependent RDMFT (TD-RDMFT)
Katarzyna Pernal, Klaas J H Giesbertz
The Journal of Chemical Physics
|
May 17, 2014
Compact two-electron wave function for bond dissociation and Van der Waals interactions: a natural amplitude assessment
Klaas J H Giesbertz, Robert van Leeuwen
The Journal of Physical Chemistry Letters
|
April 8, 2025
Impact of Parametrizations of the One-Body Reduced Density Matrix on the Energy Landscape
Nicolas G Cartier, Klaas J H Giesbertz
Journal of Chemical Theory and Computation
|
April 26, 2024
Exploiting the Hessian for a Better Convergence of the SCF-RDMFT Procedure
Nicolas G Cartier, Klaas J H Giesbertz
The Journal of Chemical Physics
|
September 21, 2013
Long-range interactions and the sign of natural amplitudes in two-electron systems
Klaas J H Giesbertz, Robert van Leeuwen
Journal of Chemical Theory and Computation
|
June 14, 2024
Optimal Transport Distances to Characterize Electronic Excitations
Annina Z Lieberherr, Paola Gori-Giorgi, Klaas J H Giesbertz
Journal of Chemical Theory and Computation
|
July 27, 2022
Secondary Kinetic Peak in the Kohn-Sham Potential and Its Connection to the Response Step
Sara Giarrusso, Roeland Neugarten, Evert Jan Baerends, et al.
Journal of Chemical Theory and Computation
|
July 22, 2020
Light-Matter Hybrid-Orbital-Based First-Principles Methods: The Influence of Polariton Statistics
Florian Buchholz, Iris Theophilou, Klaas J H Giesbertz, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2014
Exchange-correlation functionals from the strong interaction limit of DFT: applications to model chemical systems
Francesc Malet, André Mirtschink, Klaas J H Giesbertz, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
February 25, 2016
Avoiding the 4-index transformation in one-body reduced density matrix functional calculations for separable functionals
Klaas J H Giesbertz
Topics in Current Chemistry
|
May 15, 2015
Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time-Dependent RDMFT (TD-RDMFT)
Katarzyna Pernal, Klaas J H Giesbertz
The Journal of Chemical Physics
|
May 17, 2014
Compact two-electron wave function for bond dissociation and Van der Waals interactions: a natural amplitude assessment
Klaas J H Giesbertz, Robert van Leeuwen
The Journal of Physical Chemistry Letters
|
April 8, 2025
Impact of Parametrizations of the One-Body Reduced Density Matrix on the Energy Landscape
Nicolas G Cartier, Klaas J H Giesbertz
Journal of Chemical Theory and Computation
|
April 26, 2024
Exploiting the Hessian for a Better Convergence of the SCF-RDMFT Procedure
Nicolas G Cartier, Klaas J H Giesbertz
The Journal of Chemical Physics
|
September 21, 2013
Long-range interactions and the sign of natural amplitudes in two-electron systems
Klaas J H Giesbertz, Robert van Leeuwen
Journal of Chemical Theory and Computation
|
June 14, 2024
Optimal Transport Distances to Characterize Electronic Excitations
Annina Z Lieberherr, Paola Gori-Giorgi, Klaas J H Giesbertz
Journal of Chemical Theory and Computation
|
July 27, 2022
Secondary Kinetic Peak in the Kohn-Sham Potential and Its Connection to the Response Step
Sara Giarrusso, Roeland Neugarten, Evert Jan Baerends, et al.
Journal of Chemical Theory and Computation
|
July 22, 2020
Light-Matter Hybrid-Orbital-Based First-Principles Methods: The Influence of Polariton Statistics
Florian Buchholz, Iris Theophilou, Klaas J H Giesbertz, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2014
Exchange-correlation functionals from the strong interaction limit of DFT: applications to model chemical systems
Francesc Malet, André Mirtschink, Klaas J H Giesbertz, et al.
Page
of 2