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The Journal of Chemical Physics
|
May 10, 2020
A basis-set error correction based on density-functional theory for strongly correlated molecular systems
Emmanuel Giner, Anthony Scemama, Pierre-François Loos, et al.
The Journal of Chemical Physics
|
October 27, 2016
The "Fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function
Emmanuel Giner, Lorenzo Tenti, Celestino Angeli, et al.
Journal of Chemical Theory and Computation
|
October 23, 2018
Interplay between Electronic Correlation and Metal-Ligand Delocalization in the Spectroscopy of Transition Metal Compounds: Case Study on a Series of Planar Cu<sup>2+</sup> Complexes
Emmanuel Giner, David P Tew, Yann Garniron, et al.
The Journal of Chemical Physics
|
October 2, 2020
Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method
Yuan Yao, Emmanuel Giner, Junhao Li, et al.
Journal of Chemical Theory and Computation
|
January 1, 2020
Density-Based Basis-Set Incompleteness Correction for <i>GW</i> Methods
Pierre-François Loos, Barthélémy Pradines, Anthony Scemama, et al.
The Journal of Chemical Physics
|
November 23, 2017
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves
Emmanuel Giner, Celestino Angeli, Yann Garniron, et al.
The Journal of Physical Chemistry Letters
|
May 16, 2019
A Density-Based Basis-Set Correction for Wave Function Theory
Pierre-François Loos, Barthélémy Pradines, Anthony Scemama, et al.
The Journal of Chemical Physics
|
August 17, 2018
Selected configuration interaction dressed by perturbation
Yann Garniron, Anthony Scemama, Emmanuel Giner, et al.
The Journal of Chemical Physics
|
December 2, 2021
Accurate energies of transition metal atoms, ions, and monoxides using selected configuration interaction and density-based basis-set corrections
Yuan Yao, Emmanuel Giner, Tyler A Anderson, et al.
The Journal of Chemical Physics
|
November 24, 2018
Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approach
Emmanuel Giner, Barthélemy Pradines, Anthony Ferté, et al.
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of 5
Search research articles
Search
Showing results (31-40 of 47) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
May 10, 2020
A basis-set error correction based on density-functional theory for strongly correlated molecular systems
Emmanuel Giner, Anthony Scemama, Pierre-François Loos, et al.
The Journal of Chemical Physics
|
October 27, 2016
The "Fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function
Emmanuel Giner, Lorenzo Tenti, Celestino Angeli, et al.
Journal of Chemical Theory and Computation
|
October 23, 2018
Interplay between Electronic Correlation and Metal-Ligand Delocalization in the Spectroscopy of Transition Metal Compounds: Case Study on a Series of Planar Cu<sup>2+</sup> Complexes
Emmanuel Giner, David P Tew, Yann Garniron, et al.
The Journal of Chemical Physics
|
October 2, 2020
Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method
Yuan Yao, Emmanuel Giner, Junhao Li, et al.
Journal of Chemical Theory and Computation
|
January 1, 2020
Density-Based Basis-Set Incompleteness Correction for <i>GW</i> Methods
Pierre-François Loos, Barthélémy Pradines, Anthony Scemama, et al.
The Journal of Chemical Physics
|
November 23, 2017
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves
Emmanuel Giner, Celestino Angeli, Yann Garniron, et al.
The Journal of Physical Chemistry Letters
|
May 16, 2019
A Density-Based Basis-Set Correction for Wave Function Theory
Pierre-François Loos, Barthélémy Pradines, Anthony Scemama, et al.
The Journal of Chemical Physics
|
August 17, 2018
Selected configuration interaction dressed by perturbation
Yann Garniron, Anthony Scemama, Emmanuel Giner, et al.
The Journal of Chemical Physics
|
December 2, 2021
Accurate energies of transition metal atoms, ions, and monoxides using selected configuration interaction and density-based basis-set corrections
Yuan Yao, Emmanuel Giner, Tyler A Anderson, et al.
The Journal of Chemical Physics
|
November 24, 2018
Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approach
Emmanuel Giner, Barthélemy Pradines, Anthony Ferté, et al.
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of 5