Use of binomial coefficients in fast and accurate calculation of Löwdin-\(\alpha\) radial functions

DOI10.1007/S10910-010-9735-XzbMath1309.92086OpenAlexW1965363534MaRDI QIDQ626472

Ebru Çopuroğlu, Bahtiyar A. Mamedov

Publication date: 18 February 2011

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-010-9735-x

zbMATH Keywords

Slater-type orbitalswave functionmulticenter integralsLöwdin-\(\alpha\) function

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (1)

Calculation of two-center nuclear attraction integrals of Slater type orbitals with noninteger principal quantum numbers using Guseinov's one-center expansion formulas and Löwdin-\(\alpha \) radial function

Cites Work

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• Calculation of three-center nuclear attraction integral over Slater type orbitals in molecular coordinate system using Löwdin \(\alpha \)-radial function and Guseinov's two-center charge density expansion formulae
• Unified approach for exact calculation of angular momentum coupling and recoupling coefficients
• Comment on ‘‘Compact expression for Löwdin’s alpha function’’ [J. Math. Phys. 2 6, 940 (1985)]
• Action of acoustic waves on a spherical shell filled by a viscous, compressible fluid
• Simple calculation of Löwdin’s alpha function. III. Procedure for calculating h n,2n−i(L M‖ℓ )/(2n−i )! successively

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