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Physical Review Letters
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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.
The Journal of Chemical Physics
|
March 25, 2010
Subsystem constraints in variational second order density matrix optimization: curing the dissociative behavior
Brecht 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 methods
Helen van Aggelen, Brecht Verstichel, Patrick Bultinck, 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 atoms
Helen Van Aggelen, Patrick Bultinck, Brecht Verstichel, et al.
The Journal of Chemical Physics
|
February 10, 2011
Variational second order density matrix study of F3-: importance of subspace constraints for size-consistency
Helen van Aggelen, Brecht Verstichel, Patrick Bultinck, et al.
The Journal of Chemical Physics
|
March 25, 2010
Chemical verification of variational second-order density matrix based potential energy surfaces for the N2 isoelectronic series
Helen van Aggelen, Brecht Verstichel, Patrick Bultinck, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function
Ward Poelmans, Mario Van Raemdonck, Brecht Verstichel, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 31, 2019
QuantumATK: an integrated platform of electronic and atomic-scale modelling tools
Søren Smidstrup, Troels Markussen, Pieter Vancraeyveld, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
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.
The Journal of Chemical Physics
|
March 25, 2010
Subsystem constraints in variational second order density matrix optimization: curing the dissociative behavior
Brecht 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 methods
Helen van Aggelen, Brecht Verstichel, Patrick Bultinck, 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 atoms
Helen Van Aggelen, Patrick Bultinck, Brecht Verstichel, et al.
The Journal of Chemical Physics
|
February 10, 2011
Variational second order density matrix study of F3-: importance of subspace constraints for size-consistency
Helen van Aggelen, Brecht Verstichel, Patrick Bultinck, et al.
The Journal of Chemical Physics
|
March 25, 2010
Chemical verification of variational second-order density matrix based potential energy surfaces for the N2 isoelectronic series
Helen van Aggelen, Brecht Verstichel, Patrick Bultinck, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function
Ward Poelmans, Mario Van Raemdonck, Brecht Verstichel, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 31, 2019
QuantumATK: an integrated platform of electronic and atomic-scale modelling tools
Søren Smidstrup, Troels Markussen, Pieter Vancraeyveld, et al.
Page
of 1