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The Journal of Chemical Physics
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October 9, 2023
Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states
Anthony Ferté, Emmanuel Giner, Richard Taïeb, et al.
Journal of Chemical Theory and Computation
|
December 4, 2024
Entanglement and Mutual Information in Molecules: Comparing Localized and Delocalized Orbitals
Lorenzo Tenti, Stefan Peeters, Emmanuel Giner, et al.
The Journal of Chemical Physics
|
July 9, 2016
Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule
Michel Caffarel, Thomas Applencourt, Emmanuel Giner, et al.
The Journal of Chemical Physics
|
April 24, 2017
Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster
Yann Garniron, Emmanuel Giner, Jean-Paul Malrieu, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Spin Density Distribution in Open-Shell Transition Metal Systems: A Comparative Post-Hartree-Fock, Density Functional Theory, and Quantum Monte Carlo Study of the CuCl2 Molecule
Michel Caffarel, Emmanuel Giner, Anthony Scemama, et al.
The Journal of Chemical Physics
|
August 22, 2024
Compactification of determinant expansions via transcorrelation
Abdallah Ammar, Anthony Scemama, Pierre-François Loos, et al.
The Journal of Chemical Physics
|
October 17, 2019
Chemically accurate excitation energies with small basis sets
Emmanuel Giner, Anthony Scemama, Julien Toulouse, et al.
The Journal of Chemical Physics
|
March 1, 2013
Full-configuration-interaction study of the metal-insulator transition in model systems: Peierls dimerization in H(n) rings and chains
Emmanuel Giner, Gian Luigi Bendazzoli, Stefano Evangelisti, et al.
The Journal of Chemical Physics
|
June 22, 2022
Performance of a one-parameter correlation factor for transcorrelation: Study on a series of second row atomic and molecular systems
Werner Dobrautz, Aron J Cohen, Ali Alavi, et al.
The Journal of Chemical Physics
|
November 10, 2020
Taming the fixed-node error in diffusion Monte Carlo via range separation
Anthony Scemama, Emmanuel Giner, Anouar Benali, et al.
Page
of 5
Search research articles
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Showing results (21-30 of 47) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
October 9, 2023
Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states
Anthony Ferté, Emmanuel Giner, Richard Taïeb, et al.
Journal of Chemical Theory and Computation
|
December 4, 2024
Entanglement and Mutual Information in Molecules: Comparing Localized and Delocalized Orbitals
Lorenzo Tenti, Stefan Peeters, Emmanuel Giner, et al.
The Journal of Chemical Physics
|
July 9, 2016
Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule
Michel Caffarel, Thomas Applencourt, Emmanuel Giner, et al.
The Journal of Chemical Physics
|
April 24, 2017
Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster
Yann Garniron, Emmanuel Giner, Jean-Paul Malrieu, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Spin Density Distribution in Open-Shell Transition Metal Systems: A Comparative Post-Hartree-Fock, Density Functional Theory, and Quantum Monte Carlo Study of the CuCl2 Molecule
Michel Caffarel, Emmanuel Giner, Anthony Scemama, et al.
The Journal of Chemical Physics
|
August 22, 2024
Compactification of determinant expansions via transcorrelation
Abdallah Ammar, Anthony Scemama, Pierre-François Loos, et al.
The Journal of Chemical Physics
|
October 17, 2019
Chemically accurate excitation energies with small basis sets
Emmanuel Giner, Anthony Scemama, Julien Toulouse, et al.
The Journal of Chemical Physics
|
March 1, 2013
Full-configuration-interaction study of the metal-insulator transition in model systems: Peierls dimerization in H(n) rings and chains
Emmanuel Giner, Gian Luigi Bendazzoli, Stefano Evangelisti, et al.
The Journal of Chemical Physics
|
June 22, 2022
Performance of a one-parameter correlation factor for transcorrelation: Study on a series of second row atomic and molecular systems
Werner Dobrautz, Aron J Cohen, Ali Alavi, et al.
The Journal of Chemical Physics
|
November 10, 2020
Taming the fixed-node error in diffusion Monte Carlo via range separation
Anthony Scemama, Emmanuel Giner, Anouar Benali, et al.
Page
of 5