dorsal/arxiv
View SchemaThe high-density limit of two-electron systems: Results from the extended Overhauser approach
| Authors | Paola Gori-Giorgi, Andreas Savin |
|---|---|
| Categories | |
| ArXiv ID | physics/0702204 |
| URL | https://arxiv.org/abs/physics/0702204 |
| Journal | J. Chem. Theory Comput. 3, 796 (2007) |
Abstract
The ``extended Overhauser model'' [Overhauser, Can. J. Phys. 1995, 73, 683] for the calculation of the spherically and system-averaged pair density (APD) has been recently combined with the Kohn-Sham equations to yield realistic APD and correlation energies. In this work we test this approach in the high-density (weakly-correlated) limit of the He isoelectronic series and of the Hooke's atom isoelectronic series. Unlike many of the commonly used energy functionals, the Overhauser approach yields accurate correlation energies for both series.
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"abstract": "The ``extended Overhauser model\u0027\u0027 [Overhauser, Can. J. Phys. 1995, 73, 683]\nfor the calculation of the spherically and system-averaged pair density (APD)\nhas been recently combined with the Kohn-Sham equations to yield realistic APD\nand correlation energies. In this work we test this approach in the\nhigh-density (weakly-correlated) limit of the He isoelectronic series and of\nthe Hooke\u0027s atom isoelectronic series. Unlike many of the commonly used energy\nfunctionals, the Overhauser approach yields accurate correlation energies for\nboth series.",
"arxiv_id": "physics/0702204",
"authors": [
"Paola Gori-Giorgi",
"Andreas Savin"
],
"categories": [
"physics.chem-ph",
"cond-mat.mtrl-sci",
"physics.atom-ph"
],
"journal_ref": "J. Chem. Theory Comput. 3, 796 (2007)",
"title": "The high-density limit of two-electron systems: Results from the extended Overhauser approach",
"url": "https://arxiv.org/abs/physics/0702204"
},
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