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Journal of Computational Chemistry|May 3, 2024
Extended N-centered ensemble density functional theory of double electronic excitationsFilip Cernatic, Emmanuel FromagerThe Journal of Chemical Physics|September 23, 2024
Fragment quantum embedding using the Householder transformation: A multi-state extension based on ensemblesFilip Cernatic, Emmanuel Fromager, Saad YalouzTopics in Current Chemistry (Cham)|November 26, 2021
Ensemble Density Functional Theory of Neutral and Charged Excitations : Exact Formulations, Standard Approximations, and Open QuestionsFilip Cernatic, Bruno Senjean, Vincent Robert, et al.The Journal of Physical Chemistry. A|January 20, 2025
Ensemble Density Functional Theory of Ground and Excited Energy LevelsEmmanuel FromagerPhysical Review Letters|July 9, 2020
Individual Correlations in Ensemble Density Functional Theory: State- and Density-Driven Decompositions without Additional Kohn-Sham SystemsEmmanuel FromagerThe Journal of Chemical Physics|January 10, 2012
Rigorous formulation of two-parameter double-hybrid density-functionalsEmmanuel FromagerThe Journal of Physical Chemistry. A|September 17, 2025
Exact Static Linear Response of Excited States from Ensemble Density Functional TheoryLucien Dupuy, Emmanuel FromagerThe Journal of Chemical Physics|March 10, 2019
Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculationKillian Deur, Emmanuel FromagerThe Journal of Chemical Physics|June 8, 2020
A weight-dependent local correlation density-functional approximation for ensemblesPierre-François Loos, Emmanuel FromagerThe 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 approximationSajanthan Sekaran, Oussama Bindech, Emmanuel FromagerPageof 3