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The Journal of Chemical Physics
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March 3, 2018
Method for making 2-electron response reduced density matrices approximately N-representable
Caitlin Lanssens, Paul W Ayers, Dimitri Van Neck, 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.
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.
Journal of Chemical Theory and Computation
|
November 21, 2015
A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals
Peter A Limacher, Paul W Ayers, Paul A Johnson, et al.
Journal of Computational Chemistry
|
October 9, 2009
Comparative study of various normal mode analysis techniques based on partial Hessians
An Ghysels, Veronique Van Speybroeck, Ewald Pauwels, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 4, 2014
Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals
Peter A Limacher, Paul W Ayers, Paul A Johnson, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 7, 2016
Atom and Bond Fukui Functions and Matrices: A Hirshfeld-I Atoms-in-Molecule Approach
Ofelia B Oña, Olivier De Clercq, Diego R Alcoba, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Atomic Velocity Projection Method: A New Analysis Method for Vibrational Spectra in Terms of Internal Coordinates for a Better Understanding of Zeolite Nanogrowth
Marc Van Houteghem, Toon Verstraelen, Dimitri Van Neck, et al.
The Journal of Chemical Physics
|
January 3, 2015
A hybrid configuration interaction treatment based on seniority number and excitation schemes
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
June 9, 2014
Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal
Katharina Boguslawski, Paweł Tecmer, Peter A Limacher, et al.
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of 4
Search research articles
Search
Showing results (21-30 of 36) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
March 3, 2018
Method for making 2-electron response reduced density matrices approximately N-representable
Caitlin Lanssens, Paul W Ayers, Dimitri Van Neck, 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.
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.
Journal of Chemical Theory and Computation
|
November 21, 2015
A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals
Peter A Limacher, Paul W Ayers, Paul A Johnson, et al.
Journal of Computational Chemistry
|
October 9, 2009
Comparative study of various normal mode analysis techniques based on partial Hessians
An Ghysels, Veronique Van Speybroeck, Ewald Pauwels, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 4, 2014
Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals
Peter A Limacher, Paul W Ayers, Paul A Johnson, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 7, 2016
Atom and Bond Fukui Functions and Matrices: A Hirshfeld-I Atoms-in-Molecule Approach
Ofelia B Oña, Olivier De Clercq, Diego R Alcoba, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Atomic Velocity Projection Method: A New Analysis Method for Vibrational Spectra in Terms of Internal Coordinates for a Better Understanding of Zeolite Nanogrowth
Marc Van Houteghem, Toon Verstraelen, Dimitri Van Neck, et al.
The Journal of Chemical Physics
|
January 3, 2015
A hybrid configuration interaction treatment based on seniority number and excitation schemes
Diego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics
|
June 9, 2014
Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal
Katharina Boguslawski, Paweł Tecmer, Peter A Limacher, et al.
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of 4