dorsal/arxiv
View SchemaOn the use of the $V^{N-M}$ approximation in atomic calculations
| Authors | V. A. Dzuba |
|---|---|
| Categories | |
| ArXiv ID | physics/0501032 |
| URL | https://arxiv.org/abs/physics/0501032 |
| DOI | 10.1103/PhysRevA.71.032512 |
| Journal | Phys. Rev. A 71, 032512 (2005) |
Abstract
We demonstrate that $V^{N-M}$ approximation is a good starting point for the configuration interaction calculations for many-electron atoms and ions. $N$ is the total number of electrons in the neutral atom, $M$ is the number of valence electrons. $V^{N-M}$ is the self-consistent Hartree Fock potential for a closed-shell ion with all valence electrons removed. Using of the $V^{N-M}$ approximation considerably simplifies the many-body perturbation theory for the core-valence correlations. It makes it easier to include higher-order correlations which often significantly improves the accuracy of the calculations. Calculations for krypton and barium and their positive ions are presented for illustration.
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"abstract": "We demonstrate that $V^{N-M}$ approximation is a good starting point for the\nconfiguration interaction calculations for many-electron atoms and ions. $N$ is\nthe total number of electrons in the neutral atom, $M$ is the number of valence\nelectrons. $V^{N-M}$ is the self-consistent Hartree Fock potential for a\nclosed-shell ion with all valence electrons removed. Using of the $V^{N-M}$\napproximation considerably simplifies the many-body perturbation theory for the\ncore-valence correlations. It makes it easier to include higher-order\ncorrelations which often significantly improves the accuracy of the\ncalculations. Calculations for krypton and barium and their positive ions are\npresented for illustration.",
"arxiv_id": "physics/0501032",
"authors": [
"V. A. Dzuba"
],
"categories": [
"physics.atom-ph"
],
"doi": "10.1103/PhysRevA.71.032512",
"journal_ref": "Phys. Rev. A 71, 032512 (2005)",
"title": "On the use of the $V^{N-M}$ approximation in atomic calculations",
"url": "https://arxiv.org/abs/physics/0501032"
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