67 citations · 97 across the 3 of their papers we have counts for
3 papers
Site-occupation--Green's function embedding theory: A density-functional approach to dynamical impurity solvers
Laurent Mazouin, Matthieu Saubanère, Emmanuel Fromager
A reformulation of site-occupation embedding theory (SOET) in terms of Green's functions is presented. Referred to as site-occupation--Green's function embedding theory (SOGET), th…
Exploring weight-dependent density-functional approximations for ensembles in the Hubbard dimer
Killian Deur, Laurent Mazouin, Bruno Senjean +1
Gross-Oliveira-Kohn density-functional theory (GOK-DFT) is an extension of DFT to excited states where the basic variable is the ensemble density, i.e. the weighted sum of ground-…
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…