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The Journal of Chemical Physics
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September 21, 2023
Transcorrelated selected configuration interaction in a bi-orthonormal basis and with a cheap three-body correlation factor
Abdallah Ammar, Anthony Scemama, Emmanuel Giner
Faraday Discussions
|
July 30, 2024
Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method
Diata Traore, Julien Toulouse, Emmanuel Giner
The Journal of Chemical Physics
|
October 8, 2022
Extension of selected configuration interaction for transcorrelated methods
Abdallah Ammar, Anthony Scemama, Emmanuel Giner
Journal of Chemical Theory and Computation
|
June 30, 2023
Biorthonormal Orbital Optimization with a Cheap Core-Electron-Free Three-Body Correlation Factor for Quantum Monte Carlo and Transcorrelation
Abdallah Ammar, Anthony Scemama, Emmanuel Giner
The Journal of Chemical Physics
|
June 20, 2023
Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies
Diata Traore, Emmanuel Giner, Julien Toulouse
The Journal of Chemical Physics
|
February 2, 2015
Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions
Emmanuel Giner, Anthony Scemama, Michel Caffarel
The Journal of Chemical Physics
|
February 6, 2026
A variational formulation of the free energy of mixed quantum-classical systems: Coupling classical and electronic density functional theories
Guillaume Jeanmairet, Maxime Labat, Emmanuel Giner
Journal of Computational Chemistry
|
June 16, 2016
Quantum Monte Carlo with very large multideterminant wavefunctions
Anthony Scemama, Thomas Applencourt, Emmanuel Giner, et al.
Journal of Chemical Theory and Computation
|
January 18, 2017
Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory
Emmanuel Giner, Lorenzo Tenti, Celestino Angeli, et al.
The Journal of Chemical Physics
|
August 3, 2021
Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments?
Emmanuel Giner, Diata Traore, Barthélemy Pradines, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 47) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
September 21, 2023
Transcorrelated selected configuration interaction in a bi-orthonormal basis and with a cheap three-body correlation factor
Abdallah Ammar, Anthony Scemama, Emmanuel Giner
Faraday Discussions
|
July 30, 2024
Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method
Diata Traore, Julien Toulouse, Emmanuel Giner
The Journal of Chemical Physics
|
October 8, 2022
Extension of selected configuration interaction for transcorrelated methods
Abdallah Ammar, Anthony Scemama, Emmanuel Giner
Journal of Chemical Theory and Computation
|
June 30, 2023
Biorthonormal Orbital Optimization with a Cheap Core-Electron-Free Three-Body Correlation Factor for Quantum Monte Carlo and Transcorrelation
Abdallah Ammar, Anthony Scemama, Emmanuel Giner
The Journal of Chemical Physics
|
June 20, 2023
Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies
Diata Traore, Emmanuel Giner, Julien Toulouse
The Journal of Chemical Physics
|
February 2, 2015
Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions
Emmanuel Giner, Anthony Scemama, Michel Caffarel
The Journal of Chemical Physics
|
February 6, 2026
A variational formulation of the free energy of mixed quantum-classical systems: Coupling classical and electronic density functional theories
Guillaume Jeanmairet, Maxime Labat, Emmanuel Giner
Journal of Computational Chemistry
|
June 16, 2016
Quantum Monte Carlo with very large multideterminant wavefunctions
Anthony Scemama, Thomas Applencourt, Emmanuel Giner, et al.
Journal of Chemical Theory and Computation
|
January 18, 2017
Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory
Emmanuel Giner, Lorenzo Tenti, Celestino Angeli, et al.
The Journal of Chemical Physics
|
August 3, 2021
Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments?
Emmanuel Giner, Diata Traore, Barthélemy Pradines, et al.
Page
of 5