Calculations of overlap integrals over Slater type orbitals using recurrence relations for expansion coefficients

zbMATH Open1274.81290MaRDI QIDQ4928211FDOQ4928211

Authors: Israfil Guseinov, Bahtiyar A. Mamedov 

Publication date: 10 June 2013

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Mathematics Subject Classification ID

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

Cited In (12)

• Evaluation of the auxiliary function \(G_{-ns}^{q}\) using basic overlap integrals over Slater type orbitals
• Use of Filter-Steinborn \(B\) and Guseinov \({Q_{ns}^q}\) auxiliary functions in evaluation of two-center overlap integrals over Slater type orbitals
• Accurate evaluation of overlap integrals of Slater type orbitals with noninteger principal quantum numbers using complete orthonormal sets of \(Y^{a}\) - exponential type orbitals
• An efficient approach for the calculation of nuclear overlap integrals by means of binomial coefficients and Its application
• Evaluation of two-center overlap integrals using slater type orbitals in terms of Bessel type orbitals
• On the accurate evaluation of overlap integrals over Slater type orbitals using analytical and recurrence relations
• Overlap integrals between irregular solid harmonics and STOs via the Fourier transform methods
• Formulation of a shell–cluster overlap integral with the Gaussian expansion method
• Molecular integrals for Slater type orbitals using Coulomb Sturmians
• Use of recursion and analytical relations in evaluation of hypergeometric functions arising in multicenter integrals with noninteger \(n\) Slater type orbitals
• Integration by cell algorithm for Slater integrals in a spline basis
• Addition theorem of Slater type orbitals: a numerical evaluation of Barnett–Coulson/Löwdin functions

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