A short-range correlation energy density functional with multi-determinantal reference

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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.
4 pages, 2 figures

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Chemical Physics, Computational Physics

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http://salesiana.dossiersoluciones.com/handle/123456789/119602

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/physics/0611200
 http://arxiv.org/abs/physics/0611200
 Theor Chem Acc 114, 305 (2005)

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arXiv