Use of auxiliary functions \({Q_{ns}^q}\) and \({G_{-ns}^q}\) in evaluation of multicenter integrals over integer and noninteger \(n\)-Slater type orbitals arising in Hartree-Fock-Roothaan equations for molecules

DOI10.1007/s10910-008-9431-2zbMath1305.81143OpenAlexW1987818712MaRDI QIDQ839351

I. I. Guseinov

Publication date: 2 September 2009

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

Full work available at URL: https://doi.org/10.1007/s10910-008-9431-2

zbMATH Keywords

auxiliary functionsSlater type orbitalsnoninteger principal quantum numbersmulticenter integralsHartree-Fock-Roothaan equations

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55)

Related Items

Application of combined open shell Hartree-Fook-Roothaan theory to molecules using symmetrical one-range addition theorems of Slater type orbitals ⋮ On the mathematical nature of Guseinov's rearranged one-range addition theorems for Slater-type functions

Cites Work

• Combined open shell Hartree-Fock theory of atomic-molecular and nuclear systems
• Expansion formulae for two-center integer and noninteger \(n\) STO charge densities and their use in evaluation of multi-center integrals

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