dorsal/arxiv
View SchemaShort-range exchange and correlation energy density functionals: beyond the local density approximation
| Authors | Julien Toulouse, Francois Colonna, Andreas Savin |
|---|---|
| Categories | |
| ArXiv ID | physics/0410122 |
| URL | https://arxiv.org/abs/physics/0410122 |
| DOI | 10.1063/1.1824896 |
| Journal | J. Chem. Phys. 122, 014110 (2005) |
Abstract
We propose approximations which go beyond the local density approximation for the short-range exchange and correlation density functionals appearing in a multi-determinantal extension of the Kohn-Sham scheme. A first approximation consists in defining locally the range of the interaction in the correlation functional. Another approximation, more conventional, is based on a gradient expansion of the short-range exchange-correlation functional. Finally, we also test a short-range generalized-gradient approximation by extending the Perdew-Burke-Ernzerhof exchange-correlation functional to short-range interactions.
{
"annotation_id": "4a54b10b-2273-4c95-8f32-4e0669d0b86a",
"date_created": "2026-03-02T18:00:53.176000Z",
"date_modified": "2026-03-02T18:00:53.176000Z",
"file_hash": "99315c71c14d44539addcd638ec3246ea1579eee7de32d1ee0519892b5ec69dd",
"private": false,
"record": {
"abstract": "We propose approximations which go beyond the local density approximation for\nthe short-range exchange and correlation density functionals appearing in a\nmulti-determinantal extension of the Kohn-Sham scheme. A first approximation\nconsists in defining locally the range of the interaction in the correlation\nfunctional. Another approximation, more conventional, is based on a gradient\nexpansion of the short-range exchange-correlation functional. Finally, we also\ntest a short-range generalized-gradient approximation by extending the\nPerdew-Burke-Ernzerhof exchange-correlation functional to short-range\ninteractions.",
"arxiv_id": "physics/0410122",
"authors": [
"Julien Toulouse",
"Francois Colonna",
"Andreas Savin"
],
"categories": [
"physics.chem-ph",
"physics.atom-ph"
],
"doi": "10.1063/1.1824896",
"journal_ref": "J. Chem. Phys. 122, 014110 (2005)",
"title": "Short-range exchange and correlation energy density functionals: beyond the local density approximation",
"url": "https://arxiv.org/abs/physics/0410122"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "0b300ce7-210d-4494-92fa-ea437df0e76f",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}