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arxiv: physics/0501032 · v1 · submitted 2005-01-07 · ⚛️ physics.atom-ph

On the use of the V^(N-M) approximation in atomic calculations

classification ⚛️ physics.atom-ph
keywords calculationsapproximationelectronscorrelationsionsnumbervalenceaccuracy
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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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