dorsal/arxiv
View SchemaScaling relations, virial theorem and energy densities for long-range and short-range density functionals
| Authors | Julien Toulouse, Paola Gori-Giorgi, Andreas Savin |
|---|---|
| Categories | |
| ArXiv ID | physics/0605023 |
| URL | https://arxiv.org/abs/physics/0605023 |
| DOI | 10.1002/qua.20813 |
| Journal | Int. J. Quantum Chem. 106, 2026 (2006) |
Abstract
We analyze a decomposition of the Coulomb electron-electron interaction into a long-range and a short-range part in the framework of density functional theory, deriving some scaling relations and the corresponding virial theorem. We study the behavior of the local density approximation in the high-density limit for the long-range and the short-range functionals by carrying out a detailed analysis of the correlation energy of a uniform electron gas interacting via a long-range only electron-electron repulsion. Possible definitions of exchange and correlation energy densities are discussed and clarified with some examples.
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"abstract": "We analyze a decomposition of the Coulomb electron-electron interaction into\na long-range and a short-range part in the framework of density functional\ntheory, deriving some scaling relations and the corresponding virial theorem.\nWe study the behavior of the local density approximation in the high-density\nlimit for the long-range and the short-range functionals by carrying out a\ndetailed analysis of the correlation energy of a uniform electron gas\ninteracting via a long-range only electron-electron repulsion. Possible\ndefinitions of exchange and correlation energy densities are discussed and\nclarified with some examples.",
"arxiv_id": "physics/0605023",
"authors": [
"Julien Toulouse",
"Paola Gori-Giorgi",
"Andreas Savin"
],
"categories": [
"physics.chem-ph"
],
"doi": "10.1002/qua.20813",
"journal_ref": "Int. J. Quantum Chem. 106, 2026 (2006)",
"title": "Scaling relations, virial theorem and energy densities for long-range and short-range density functionals",
"url": "https://arxiv.org/abs/physics/0605023"
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