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 integrals; Slater type orbitals; exponential type orbitals; multicenter integrals; Hartree-Fock-Roothaan equations

Mathematics Subject Classification ID

33C45: Orthogonal polynomials and functions of hypergeometric type (Jacobi, Laguerre, Hermite, Askey scheme, etc.)

81V55: Molecular physics

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