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The Journal of Chemical Physics
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April 24, 2023
Efficient calculation of derivatives of integrals in a basis of non-separable Gaussians
Jacques K Desmarais, Alessandro De Frenza, Alessandro Erba
The Journal of Chemical Physics
|
April 23, 2021
Retraction: "Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories" [J. Chem. Phys. 151, 074108 (2019)]
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Chemical Physics
|
August 24, 2019
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Chemical Physics
|
August 24, 2019
Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Physical Chemistry Letters
|
June 13, 2019
Fundamental Role of Fock Exchange in Relativistic Density Functional Theory
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
Physical Review Letters
|
March 28, 2025
Meta-Generalized Gradient Approximation Made Magnetic
Jacques K Desmarais, Alessandro Erba, Giovanni Vignale, et al.
Physical Review Letters
|
January 26, 2026
Physical Spin Torques from Exactly Constrained Exchange-Correlation Torques
Jacques K Desmarais, Kamel Bencheikh, Giovanni Vignale, et al.
Journal of Chemical Theory and Computation
|
July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling II: A Coupled Perturbed Kohn-Sham Method
Jacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
July 9, 2021
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Jacques K Desmarais, Stanislav Komorovsky, Jean-Pierre Flament, et al.
Journal of Chemical Theory and Computation
|
July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling, Part I: Double Perturbation Theory Based on a Single-Reference Initial Approximation
Jacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
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Showing results (1-10 of 22) with videos related to
Sort By:
Page
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The Journal of Chemical Physics
|
April 24, 2023
Efficient calculation of derivatives of integrals in a basis of non-separable Gaussians
Jacques K Desmarais, Alessandro De Frenza, Alessandro Erba
The Journal of Chemical Physics
|
April 23, 2021
Retraction: "Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories" [J. Chem. Phys. 151, 074108 (2019)]
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Chemical Physics
|
August 24, 2019
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Chemical Physics
|
August 24, 2019
Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
The Journal of Physical Chemistry Letters
|
June 13, 2019
Fundamental Role of Fock Exchange in Relativistic Density Functional Theory
Jacques K Desmarais, Jean-Pierre Flament, Alessandro Erba
Physical Review Letters
|
March 28, 2025
Meta-Generalized Gradient Approximation Made Magnetic
Jacques K Desmarais, Alessandro Erba, Giovanni Vignale, et al.
Physical Review Letters
|
January 26, 2026
Physical Spin Torques from Exactly Constrained Exchange-Correlation Torques
Jacques K Desmarais, Kamel Bencheikh, Giovanni Vignale, et al.
Journal of Chemical Theory and Computation
|
July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling II: A Coupled Perturbed Kohn-Sham Method
Jacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
The Journal of Chemical Physics
|
July 9, 2021
Spin-orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Jacques K Desmarais, Stanislav Komorovsky, Jean-Pierre Flament, et al.
Journal of Chemical Theory and Computation
|
July 21, 2021
Perturbation Theory Treatment of Spin-Orbit Coupling, Part I: Double Perturbation Theory Based on a Single-Reference Initial Approximation
Jacques K Desmarais, Alessandro Erba, Jean-Pierre Flament, et al.
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