102 citations · 1.1k across the 44 of their papers we have counts for
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physics.chem-ph2021★ 48 cited
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…
cond-mat.str-el2021★ 25 cited
Householder transformed density matrix functional embedding theory
Sajanthan Sekaran, Masahisa Tsuchiizu, Matthieu Saubanère +1
Quantum embedding based on the (one-electron reduced) density matrix is revisited by means of the unitary Householder transformation. While being exact and equivalent to (but forma…