102 citations · 1.1k across the 44 of their papers we have counts for
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Exact ensemble density functional theory for excited states in a model system: investigating the weight dependence of the correlation energy
Killian Deur, Laurent Mazouin, Emmanuel Fromager
Ensemble density functional theory (eDFT) is an exact time-independent alternative to time-dependent DFT (TD-DFT) for the calculation of excitation energies. Despite its formal sim…
Ghost interaction correction in ensemble density-functional theory for excited states with and without range separation
Md. Mehboob Alam, Stefan Knecht, Emmanuel Fromager
Ensemble density-functional theory (eDFT) suffers from the so-called "ghost interaction" error when approximate exchange-correlation functionals are used. In this work, we present…
Local density approximation in site-occupation embedding theory
Bruno Senjean, Masahisa Tsuchiizu, Vincent Robert +1
Site-occupation embedding theory (SOET) is a density-functional theory (DFT)-based method which aims at modelling strongly correlated electrons. It is in principle exact and applic…