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Klaas J H Giesbertz

Showing results (1-10 of 14) with videos related to

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Physical Chemistry Chemical Physics : PCCP|February 25, 2016
Avoiding the 4-index transformation in one-body reduced density matrix functional calculations for separable functionalsKlaas 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 assessmentKlaas 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 LandscapeNicolas 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 ProcedureNicolas 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 systemsKlaas J H Giesbertz, Robert van Leeuwen
Journal of Chemical Theory and Computation|June 14, 2024
Optimal Transport Distances to Characterize Electronic ExcitationsAnnina 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 StepSara 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 StatisticsFlorian 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 systemsFrancesc Malet, André Mirtschink, Klaas J H Giesbertz, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
Physical Chemistry Chemical Physics : PCCP|February 25, 2016
Avoiding the 4-index transformation in one-body reduced density matrix functional calculations for separable functionalsKlaas 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 assessmentKlaas 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 LandscapeNicolas 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 ProcedureNicolas 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 systemsKlaas J H Giesbertz, Robert van Leeuwen
Journal of Chemical Theory and Computation|June 14, 2024
Optimal Transport Distances to Characterize Electronic ExcitationsAnnina 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 StepSara 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 StatisticsFlorian 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 systemsFrancesc Malet, André Mirtschink, Klaas J H Giesbertz, et al.
Pageof 2