Calculation of multicenter nuclear attraction and electron repulsion integrals over Slater orbitals by Fourier transform method using Gegenbauer polynomials

DOI10.1023/A:1022926504733zbMath1045.81573MaRDI QIDQ1397311

I. I. Guseinov, Bahtiyar A. Mamedov

Publication date: 27 July 2003

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

zbMATH Keywords

overlap integralsSlater type orbitalsexponential type orbitalsmulticenter integralsHartree-Fock-Roothaan equations

Mathematics Subject Classification ID

Orthogonal polynomials and functions of hypergeometric type (Jacobi, Laguerre, Hermite, Askey scheme, etc.) (33C45) Molecular physics (81V55)

Related Items (1)

Application of combined open shell Hartree-Fook-Roothaan theory to molecules using symmetrical one-range addition theorems of Slater type orbitals

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