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

DOI10.1016/J.AMC.2012.01.069zbMath1246.82003OpenAlexW1986813464MaRDI QIDQ419551

Ebru Çopuroğlu, Bahtiyar A. Mamedov

Publication date: 18 May 2012

Published in: Applied Mathematics and Computation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.amc.2012.01.069

zbMATH Keywords

Slater type orbitalsgamma functionsGuseinov \(\varPsi ^{\alpha }\)-exponential type orbitalsnoninteger principal quantum numbersnuclear attraction integrals

Mathematics Subject Classification ID

Atomic physics (81V45) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (1)

JRAF: a Julia package for computation of relativistic molecular auxiliary functions

Cites Work

• Use of binomial coefficients in fast and accurate calculation of Löwdin-\(\alpha\) radial functions
• Expansion formulae for two-center integer and noninteger \(n\) STO charge densities and their use in evaluation of multi-center integrals
• A matrix representation of the translation operator with respect to a basis set of exponentially declining functions
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