dorsal/arxiv
View SchemaPrecision calculations of atoms with few valence electrons
| Authors | M G Kozlov |
|---|---|
| Categories | |
| ArXiv ID | physics/0306061 |
| URL | https://arxiv.org/abs/physics/0306061 |
| Journal | Int. J. Quant. Chem. 100, 336 (2004) |
Abstract
We discuss the possibility of using pair-equations for the construction of the effective Hamiltonian $H_{\rm eff}$ for valence electrons of an atom. The low-energy part of atomic spectrum is found by solving the eigenvalue problem for $H_{\rm eff}$. In this way it is possible to account efficiently for the valence-valence and core-valence correlations. We tested this method on a toy model of a four-electron atom with the core $1s^2$. The spectrum obtained with $H_{\rm eff}$ for two valence electrons is in a perfect agreement with the full configuration interaction for all four electrons.
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"abstract": "We discuss the possibility of using pair-equations for the construction of\nthe effective Hamiltonian $H_{\\rm eff}$ for valence electrons of an atom. The\nlow-energy part of atomic spectrum is found by solving the eigenvalue problem\nfor $H_{\\rm eff}$. In this way it is possible to account efficiently for the\nvalence-valence and core-valence correlations. We tested this method on a toy\nmodel of a four-electron atom with the core $1s^2$. The spectrum obtained with\n$H_{\\rm eff}$ for two valence electrons is in a perfect agreement with the full\nconfiguration interaction for all four electrons.",
"arxiv_id": "physics/0306061",
"authors": [
"M G Kozlov"
],
"categories": [
"physics.atom-ph",
"physics.comp-ph"
],
"journal_ref": "Int. J. Quant. Chem. 100, 336 (2004)",
"title": "Precision calculations of atoms with few valence electrons",
"url": "https://arxiv.org/abs/physics/0306061"
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