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Dimitri Van Neck

Showing results (11-20 of 36) with videos related to

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The Journal of Chemical Physics|December 29, 2010
Communication: Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectorsDiederik Vanfleteren, Dimitri Van Neck, Patrick Bultinck, et al.
The Journal of Chemical Physics|January 14, 2012
Stockholder projector analysis: a Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectorsDiederik Vanfleteren, Dimitri Van Neck, Patrick Bultinck, et al.
The Journal of Chemical Physics|March 25, 2010
Subsystem constraints in variational second order density matrix optimization: curing the dissociative behaviorBrecht Verstichel, Helen van Aggelen, Dimitri Van Neck, et al.
The Journal of Chemical Physics|January 14, 2012
Considerations on describing non-singlet spin states in variational second order density matrix methodsHelen van Aggelen, Brecht Verstichel, Patrick Bultinck, et al.
The Journal of Chemical Physics|May 27, 2009
Exact ionization potentials from wavefunction asymptotics: the extended Koopmans' theorem, revisitedDiederik Vanfleteren, Dimitri Van Neck, Paul W Ayers, et al.
Physical Chemistry Chemical Physics : PCCP|October 22, 2009
Incorrect diatomic dissociation in variational reduced density matrix theory arises from the flawed description of fractionally charged atomsHelen Van Aggelen, Patrick Bultinck, Brecht Verstichel, et al.
Journal of Computational Chemistry|January 8, 2022
Uncovering Clar's aromatic <math></math> -sextet rule in the Hubbard model using Maximum Probability Domain PartitionsDaria Tolstykh, Laurent Lemmens, Stijn De Baerdemacker, et al.
Journal of Computational Chemistry|September 16, 2011
Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the Hirshfeld-I partitioning of the electron densityDiederik Vanfleteren, Dieter Ghillemijn, Dimitri Van Neck, et al.
The Journal of Chemical Physics|July 3, 2014
Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)Sebastian Wouters, Thomas Bogaerts, Pascal Van Der Voort, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Nonvariational Orbital Optimization Techniques for the AP1roG Wave FunctionKatharina Boguslawski, Paweł Tecmer, Patrick Bultinck, et al.
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Showing results (11-20 of 36) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|December 29, 2010
Communication: Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectorsDiederik Vanfleteren, Dimitri Van Neck, Patrick Bultinck, et al.
The Journal of Chemical Physics|January 14, 2012
Stockholder projector analysis: a Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectorsDiederik Vanfleteren, Dimitri Van Neck, Patrick Bultinck, et al.
The Journal of Chemical Physics|March 25, 2010
Subsystem constraints in variational second order density matrix optimization: curing the dissociative behaviorBrecht Verstichel, Helen van Aggelen, Dimitri Van Neck, et al.
The Journal of Chemical Physics|January 14, 2012
Considerations on describing non-singlet spin states in variational second order density matrix methodsHelen van Aggelen, Brecht Verstichel, Patrick Bultinck, et al.
The Journal of Chemical Physics|May 27, 2009
Exact ionization potentials from wavefunction asymptotics: the extended Koopmans' theorem, revisitedDiederik Vanfleteren, Dimitri Van Neck, Paul W Ayers, et al.
Physical Chemistry Chemical Physics : PCCP|October 22, 2009
Incorrect diatomic dissociation in variational reduced density matrix theory arises from the flawed description of fractionally charged atomsHelen Van Aggelen, Patrick Bultinck, Brecht Verstichel, et al.
Journal of Computational Chemistry|January 8, 2022
Uncovering Clar's aromatic <math></math> -sextet rule in the Hubbard model using Maximum Probability Domain PartitionsDaria Tolstykh, Laurent Lemmens, Stijn De Baerdemacker, et al.
Journal of Computational Chemistry|September 16, 2011
Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the Hirshfeld-I partitioning of the electron densityDiederik Vanfleteren, Dieter Ghillemijn, Dimitri Van Neck, et al.
The Journal of Chemical Physics|July 3, 2014
Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)Sebastian Wouters, Thomas Bogaerts, Pascal Van Der Voort, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Nonvariational Orbital Optimization Techniques for the AP1roG Wave FunctionKatharina Boguslawski, Paweł Tecmer, Patrick Bultinck, et al.
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