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

DOI10.1007/S10910-009-9577-6zbMath1222.92069OpenAlexW4241706708MaRDI QIDQ848163

Bahtiyar A. Mamedov, Ebru Çopuroğlu

Publication date: 2 March 2010

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

Full work available at URL: https://doi.org/10.1007/s10910-009-9577-6

Mathematics Subject Classification ID

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

Related Items (1)

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

Cites Work

• Unnamed Item
• Unnamed Item
• Unnamed Item
• Mathscape and molecular integrals
• A matrix representation of the translation operator with respect to a basis set of exponentially declining functions
• A new algorithm for accurate and fast numerical evaluation of hybrid and three-centre two-electron Coulomb integrals over Slater-type functions
• Addition theorem of Slater type orbitals: a numerical evaluation of Barnett–Coulson/Löwdin functions

This page was built for publication: 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