Hylleraas method for many-electron atoms. II. Integrals over wave functions with one interelectronic coordinate

Hylleraas method for many-electron atoms. II. Integrals over wave functions with one interelectronic coordinate

A procedure is proposed to evaluate matrix elements containing r νij linked with angular functions. Using this procedure, the different types of two‐, three‐, and four‐electron radial and angular integrals that appear in a five‐electron atom, in the case of only one rij coordinate per basis function...

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Veröffentlicht in:International journal of quantum chemistry 2005, Vol.101 (3), p.261-273
1. Verfasser: Belén Ruiz, María
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Sprache:eng
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Hylleraas method
integrals
one interelectronic coordinate
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description A procedure is proposed to evaluate matrix elements containing r νij linked with angular functions. Using this procedure, the different types of two‐, three‐, and four‐electron radial and angular integrals that appear in a five‐electron atom, in the case of only one rij coordinate per basis function, are written in a compact form, separated in radial coordinates of one electron. The general formulas with which to obtain the integrals for powers ν ≥ 1 are developed, based on the orthogonality of the Legendre polynomials. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
doi_str_mv 10.1002/qua.20198
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subjects Hylleraas method
integrals
one interelectronic coordinate
title Hylleraas method for many-electron atoms. II. Integrals over wave functions with one interelectronic coordinate
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