48 citations · 78 across the 4 of their papers we have counts for
4 papers
Fragment quantum embedding using the Householder transformation: a multi-state extension based on ensembles
Filip Cernatic, Emmanuel Fromager, Saad Yalouz
In recent works by Yalouz et al. (J. Chem. Phys. 157, 214112, 2022) and Sekaran et al. (Phys. Rev. B 104, 035121, 2021; Computation 10, 45, 2022), Density Matrix Embedding Theory (…
Extended -centered ensemble density functional theory of double electronic excitations
Filip Cernatic, Emmanuel Fromager
A recent work [arXiv:2401.04685] has merged -centered ensembles of neutral and charged electronic ground states with ensembles of neutral ground and excited states, thus providi…
Neutral electronic excitations and derivative discontinuities: An extended -centered ensemble density functional theory perspective
Filip Cernatic, Pierre-François Loos, Bruno Senjean +1
This work merges two different types of many-electron ensembles, namely the Theophilou-Gross-Oliveira-Kohn ensembles of ground and neutrally-excited states, and the more recent …
Ensemble Density Functional Theory of Neutral and Charged Excitations
Filip Cernatic, Bruno Senjean, Vincent Robert +1
Recent progress in the field of (time-independent) ensemble density-functional theory (DFT) for excited states are reviewed. Both Gross-Oliveira-Kohn (GOK) and -centered ensembl…