102 citations · 1.1k across the 44 of their papers we have counts for
5 papers · 1 filter
Exact exchange-correlation potentials for calculating the fundamental gap with a fixed number of electrons
M. J. P. Hodgson, J. Wetherell, Emmanuel Fromager
Capturing the discontinuous shift by in the exact exchange-correlation (xc) potential is the standard proposal for calculating the fundamental gap, , from the Koh…
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…
N-centered ensemble density-functional theory for open systems
Bruno Senjean, Emmanuel Fromager
Two (so-called left and right) variants of N-centered ensemble density-functional theory (DFT) [Senjean and Fromager, Phys. Rev. A 98, 022513 (2018)] are presented. Unlike the orig…
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…