A short-range correlation energy density functional with multi-determinantal reference |
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Authors: | J Toulouse P Gori-Giorgi A Savin |
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Institution: | (1) Laboratoire de Chimie Théorique, CNRS et Université Pierre et Marie Curie, 4 place Jussieu, 75252 Paris, France |
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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. |
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Keywords: | Density functional theory Long-range/short-range decomposition Correlation functional Local density approximation |
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