Convergence of translation formulas for the computation of multicenter integrals over Slater orbitals

DOI10.1006/jcph.2001.6924zbMath0991.65021OpenAlexW2084520646MaRDI QIDQ5956656

I. I. Guseinov, Bahtiyar A. Mamedov

Publication date: 28 February 2002

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.2001.6924

zbMATH Keywords

convergenceSlater-type orbitalsauxiliary functionsexponential-type orbitalsGaussian-type orbitalsmulticenter molecular integralsoverlap integralsquantum numbersscreening constants

Mathematics Subject Classification ID

Computation of special functions and constants, construction of tables (65D20) Other functions defined by series and integrals (33E20) Numerical quadrature and cubature formulas (65D32) Molecular physics (81V55) Numerical approximation and evaluation of special functions (33F05)

Related Items (max. 100)

Application of combined open shell Hartree-Fook-Roothaan theory to molecules using symmetrical one-range addition theorems of Slater type orbitals ⋮ Use of unsymmetrical one-range addition theorems of Slater type orbitals in molecular electronic structure determination

Cites Work

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• Addition theorems for B functions and other exponentially declining functions
• Natural Orbitals in the Quantum Theory of Two-Electron Systems
• On the eigenfunctions of many-particle systems in quantum mechanics
• Weakly convergent expansions of a plane wave and their use in Fourier integrals
• The termination of the afferent nerve fibre in the muscle spindle of the frog

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