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Journal of Chemical Theory and Computation
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April 19, 2019
Three-Legged Tree Tensor Networks with SU(2) and Molecular Point Group Symmetry
Klaas Gunst, Frank Verstraete, Dimitri Van Neck
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2009
Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes
Patrick Bultinck, David L Cooper, Dimitri Van Neck
The Journal of Chemical Physics
|
August 8, 2016
DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes
Sebastian Wouters, Veronique Van Speybroeck, Dimitri Van Neck
Physical Review Letters
|
September 26, 2012
Variational two-particle density matrix calculation for the Hubbard model below half filling using spin-adapted lifting conditions
Brecht Verstichel, Helen van Aggelen, Ward Poelmans, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2012
Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methods
Patrick Bultinck, Dimitri Van Neck, Guillaume Acke, et al.
Journal of Computational Chemistry
|
February 18, 2011
A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss
Dieter Ghillemijn, Patrick Bultinck, Dimitri Van Neck, et al.
Journal of Chemical Theory and Computation
|
February 27, 2018
T3NS: Three-Legged Tree Tensor Network States
Klaas Gunst, Frank Verstraete, Sebastian Wouters, et al.
The Journal of Chemical Physics
|
January 21, 2014
Linear response theory for the density matrix renormalization group: efficient algorithms for strongly correlated excited states
Naoki Nakatani, Sebastian Wouters, Dimitri Van Neck, et al.
The Journal of Chemical Physics
|
April 10, 2012
Longitudinal static optical properties of hydrogen chains: finite field extrapolations of matrix product state calculations
Sebastian Wouters, Peter A Limacher, Dimitri Van Neck, et al.
The Journal of Chemical Physics
|
May 6, 2010
Partitioning of the molecular density matrix over atoms and bonds
Diederik Vanfleteren, Dimitri Van Neck, Patrick Bultinck, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 36) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
April 19, 2019
Three-Legged Tree Tensor Networks with SU(2) and Molecular Point Group Symmetry
Klaas Gunst, Frank Verstraete, Dimitri Van Neck
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2009
Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes
Patrick Bultinck, David L Cooper, Dimitri Van Neck
The Journal of Chemical Physics
|
August 8, 2016
DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes
Sebastian Wouters, Veronique Van Speybroeck, Dimitri Van Neck
Physical Review Letters
|
September 26, 2012
Variational two-particle density matrix calculation for the Hubbard model below half filling using spin-adapted lifting conditions
Brecht Verstichel, Helen van Aggelen, Ward Poelmans, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2012
Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methods
Patrick Bultinck, Dimitri Van Neck, Guillaume Acke, et al.
Journal of Computational Chemistry
|
February 18, 2011
A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss
Dieter Ghillemijn, Patrick Bultinck, Dimitri Van Neck, et al.
Journal of Chemical Theory and Computation
|
February 27, 2018
T3NS: Three-Legged Tree Tensor Network States
Klaas Gunst, Frank Verstraete, Sebastian Wouters, et al.
The Journal of Chemical Physics
|
January 21, 2014
Linear response theory for the density matrix renormalization group: efficient algorithms for strongly correlated excited states
Naoki Nakatani, Sebastian Wouters, Dimitri Van Neck, et al.
The Journal of Chemical Physics
|
April 10, 2012
Longitudinal static optical properties of hydrogen chains: finite field extrapolations of matrix product state calculations
Sebastian Wouters, Peter A Limacher, Dimitri Van Neck, et al.
The Journal of Chemical Physics
|
May 6, 2010
Partitioning of the molecular density matrix over atoms and bonds
Diederik Vanfleteren, Dimitri Van Neck, Patrick Bultinck, et al.
Page
of 4