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The Journal of Physical Chemistry. A
|
January 20, 2025
Ensemble Density Functional Theory of Ground and Excited Energy Levels
Emmanuel Fromager
Physical Review Letters
|
July 9, 2020
Individual Correlations in Ensemble Density Functional Theory: State- and Density-Driven Decompositions without Additional Kohn-Sham Systems
Emmanuel Fromager
The Journal of Chemical Physics
|
January 10, 2012
Rigorous formulation of two-parameter double-hybrid density-functionals
Emmanuel Fromager
The Journal of Physical Chemistry. A
|
September 17, 2025
Exact Static Linear Response of Excited States from Ensemble Density Functional Theory
Lucien Dupuy, Emmanuel Fromager
The Journal of Chemical Physics
|
March 10, 2019
Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation
Killian Deur, Emmanuel Fromager
Journal of Computational Chemistry
|
May 3, 2024
Extended N-centered ensemble density functional theory of double electronic excitations
Filip Cernatic, Emmanuel Fromager
The Journal of Chemical Physics
|
June 8, 2020
A weight-dependent local correlation density-functional approximation for ensembles
Pierre-François Loos, Emmanuel Fromager
The Journal of Chemical Physics
|
July 19, 2023
A unified density matrix functional construction of quantum baths in density matrix embedding theory beyond the mean-field approximation
Sajanthan Sekaran, Oussama Bindech, Emmanuel Fromager
The Journal of Chemical Physics
|
August 6, 2005
Atomic spin-orbit pseudopotential definition and its relation to the different relativistic approximations
Emmanuel Fromager, Christian Teichteil, Laurent Maron
The Journal of Chemical Physics
|
September 23, 2024
Fragment quantum embedding using the Householder transformation: A multi-state extension based on ensembles
Filip Cernatic, Emmanuel Fromager, Saad Yalouz
Page
of 4
Search research articles
Search
Showing results (1-10 of 31) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. A
|
January 20, 2025
Ensemble Density Functional Theory of Ground and Excited Energy Levels
Emmanuel Fromager
Physical Review Letters
|
July 9, 2020
Individual Correlations in Ensemble Density Functional Theory: State- and Density-Driven Decompositions without Additional Kohn-Sham Systems
Emmanuel Fromager
The Journal of Chemical Physics
|
January 10, 2012
Rigorous formulation of two-parameter double-hybrid density-functionals
Emmanuel Fromager
The Journal of Physical Chemistry. A
|
September 17, 2025
Exact Static Linear Response of Excited States from Ensemble Density Functional Theory
Lucien Dupuy, Emmanuel Fromager
The Journal of Chemical Physics
|
March 10, 2019
Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation
Killian Deur, Emmanuel Fromager
Journal of Computational Chemistry
|
May 3, 2024
Extended N-centered ensemble density functional theory of double electronic excitations
Filip Cernatic, Emmanuel Fromager
The Journal of Chemical Physics
|
June 8, 2020
A weight-dependent local correlation density-functional approximation for ensembles
Pierre-François Loos, Emmanuel Fromager
The Journal of Chemical Physics
|
July 19, 2023
A unified density matrix functional construction of quantum baths in density matrix embedding theory beyond the mean-field approximation
Sajanthan Sekaran, Oussama Bindech, Emmanuel Fromager
The Journal of Chemical Physics
|
August 6, 2005
Atomic spin-orbit pseudopotential definition and its relation to the different relativistic approximations
Emmanuel Fromager, Christian Teichteil, Laurent Maron
The Journal of Chemical Physics
|
September 23, 2024
Fragment quantum embedding using the Householder transformation: A multi-state extension based on ensembles
Filip Cernatic, Emmanuel Fromager, Saad Yalouz
Page
of 4