dorsal/arxiv
View SchemaA short-range correlation energy density functional with multi-determinantal reference
| Authors | Julien Toulouse, Paola Gori-Giorgi, Andreas Savin |
|---|---|
| Categories | |
| ArXiv ID | physics/0611200 |
| URL | https://arxiv.org/abs/physics/0611200 |
| Journal | Theor Chem Acc 114, 305 (2005) |
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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"abstract": "We introduce a short-range correlation density functional defined with\nrespect to a multi-determinantal reference which is meant to be used in a\nmulti-determinantal extension of the Kohn-Sham scheme of density functional\ntheory based on a long-range/short-range decomposition of the Coulomb\nelectron-electron interaction. We construct the local density approximation for\nthis functional and discuss its performance on the He atom.",
"arxiv_id": "physics/0611200",
"authors": [
"Julien Toulouse",
"Paola Gori-Giorgi",
"Andreas Savin"
],
"categories": [
"physics.chem-ph",
"physics.comp-ph"
],
"journal_ref": "Theor Chem Acc 114, 305 (2005)",
"title": "A short-range correlation energy density functional with multi-determinantal reference",
"url": "https://arxiv.org/abs/physics/0611200"
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