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A short-range correlation energy density functional with multi-determinantal reference
Authors:J Toulouse  P Gori-Giorgi  A Savin
Institution:(1) Laboratoire de Chimie Théorique, CNRS et Université Pierre et Marie Curie, 4 place Jussieu, 75252 Paris, France
Abstract:We introduce a short-range correlation density functional defined with respect to a multi-determinantal reference which is meant to be used in a multi-determinantal extension of the Kohn–Sham scheme of density functional theory based on a long-range/short-range decomposition of the Coulomb electron–electron interaction. We construct the local density approximation for this functional and discuss its performance on the He atom.
Keywords:Density functional theory  Long-range/short-range decomposition  Correlation functional  Local density approximation
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