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

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

2006-11-21

arxiv.org/abs/physics/0611200v1

Theor Chem Acc 114, 305 (2005)

Physics

Chemical Physics

4 pages, 2 figures

Scientific paper

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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