Analytic matrix elements for the two-electron atomic basis with logarithmic terms

DOI10.1063/1.4890562MaRDI QIDQ3189921zbMATH OpenOpenAlexFDO

Authors Evgeny Z. Liverts, Nir Barnea

Publication date 12 September 2014

Published in Journal of Mathematical Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1401.7507

Mathematics Subject Classification ID

Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Atomic physics (81V45)

Abstract: The two-electron problem for the helium-like atom/ions in $S$-state is considered. The basis containing the integer powers of $lnr$, where $r$ is a radial variable of the Fock expansion, is studied. In this basis, the analytic expressions for the matrix elements of the corresponding Hamiltonian are presented. These expressions include only special functions presented by the built-in $Mathematica$ codes, what enables very fast and accurate computation of the matrix elements. The decisive contribution of the correct logarithmic terms to the behavior of the two-electron wave function in the vicinity of the triple-coalescence point is reaffirmed.

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Cites work

• \(S\)-states of helium-like ions
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• scientific article; zbMATH DE number 48232 (Why is no real title available?)
• scientific article; zbMATH DE number 3095024 (Why is no real title available?)
• Some special cases of the generalized hypergeometric function \(_{q+1}F_ q\)
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Cited in

(2)

• A closed-form relation for dimension-dependent two-electron matrix elements of the interelectronic distance
• An exactly soluble base problem for atomic systems

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