On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f0 actinide species.

Abstract

In a previous paper [Fromager et al., J. Chem. Phys. 126, 074111 (2007)], some of the authors proposed a recipe for choosing the optimal value of the mu parameter that controls the long-range/short-range separation of the two-electron interaction in hybrid multiconfigurational self-consistent field short-range density-functional theory (MC-srDFT) methods… (More)
DOI: 10.1063/1.3187032

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