102 citations · 209 across the 13 of their papers we have counts for
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Exact static linear response of excited states from ensemble density functional theory
Lucien Dupuy, Emmanuel Fromager
Following a recent work [E. Fromager, J. Phys. Chem. A 2025, 129, 4, 1143-1155] on the ensemble density functional theory (DFT) of excited electronic energy levels, we derive in th…
Ensemble density functional theory of ground and excited energy levels
Emmanuel Fromager
A Kohn-Sham density-functional energy expression is derived for any (ground or excited) state within a given many-electron ensemble along with the stationarity condition it fulfill…
Weight Dependence of Local Exchange-Correlation Functionals in Ensemble Density-Functional Theory: Double Excitations in Two-Electron Systems
Clotilde Marut, Bruno Senjean, Emmanuel Fromager +1
Gross--Oliveira--Kohn (GOK) ensemble density-functional theory (GOK-DFT) is a time-\textit{independent} extension of density-functional theory (DFT) which allows to compute excited…
A weight-dependent local correlation density-functional approximation for ensembles
Pierre-François Loos, Emmanuel Fromager
We report a local, weight-dependent correlation density-functional approximation that incorporates information about both ground and excited states in the context of density-functi…
Individual correlations in ensemble density-functional theory: State-driven/density-driven decompositions without additional Kohn-Sham systems
Emmanuel Fromager
Gould and Pittalis [Phys. Rev. Lett. 123, 016401 (2019)] recently revealed a density-driven (DD) correlation energy that is specific to many-electron ensembles and must be accounte…
Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation
Killian Deur, Emmanuel Fromager
Gross-Oliveira-Kohn density-functional theory (GOK-DFT) for ensembles is the DFT analog of state-averaged wavefunction-based (SA-WF) methods. In GOK-DFT, the state-averaged (so-cal…