most citedWeight Dependence of Local Exchange-Correlation Functionals in Ensemble Density-Functional Theory: Double Excitations in Two-Electron Systems

32 citations · 43 across the 2 of their papers we have counts for

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physics.chem-ph2021★ 11 cited

Variations of the Hartree-Fock fractional-spin error for one electron

Hugh G. A. Burton, Clotilde Marut, Timothy J. Daas +2

Fractional-spin errors are inherent in all current approximate density functionals, including Hartree-Fock theory, and their origin has been related to strong static correlation ef…

physics.chem-ph2020★ 32 cited

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…