Calculation of multicenter electronic attraction, electric field and electric field gradient integrals of Coulomb potential over integer and noninteger n Slater orbitals

DOI10.1007/S10910-004-1102-3MaRDI QIDQ2485895zbMATH OpenOpenAlexFDO

Authors I. I. Guseinov, Bahtiyar A. Mamedov

Publication date 5 August 2005

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

Full work available at URL https://doi.org/10.1007/s10910-004-1102-3

zbMATH Keywords

noninteger principal quantum numberselectric field gradient integralselectric field integralselectronic attraction integrals

Mathematics Subject Classification ID

Chemistry (92E99) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Recommendations

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Cites work

• New Developments in Molecular Orbital Theory
• On the eigenfunctions of many-particle systems in quantum mechanics
• Unified analytical treatment of multicentre electron attraction, electric field and electric field gradient integrals over Slater orbitals

Cited in

(12)

• Unified analytical treatment of multicentre electron attraction, electric field and electric field gradient integrals over Slater orbitals
• o(4,2)×o(4,2) group theoretical expression of the interelectronic Coulomb potential
• Convergence of translation formulas for the computation of multicenter integrals over Slater orbitals
• On the mathematical nature of Guseinov's rearranged one-range addition theorems for Slater-type functions
• Calculation of multicenter nuclear attraction and electron repulsion integrals over Slater orbitals by Fourier transform method using Gegenbauer polynomials
• Evaluation of potential of electric field produced by molecule using symmetrical one-range addition theorems for Coulomb-Yukawa like correlated interaction potentials of integer and noninteger indices
• EVALUATION OF ONE- AND TWO-ELECTRON MULTICENTER INTEGRALS OF YUKAWA-LIKE SCREENED CENTRAL AND NONCENTRAL INTERACTION POTENTIALS OVER SLATER ORBITALS USING ADDITION THEOREMS
• Use of Cartesian coordinates in evaluation of multicenter multielectron integrals over Slater type orbitals and their derivatives
• Analytical evaluation of multicenter multielectron integrals of central and noncentral interaction potentials over Slater orbitals using overlap integrals and auxiliary functions
• Evaluation of multicenter electronic attraction, electric field and electric field gradient integrals with screened and nonscreened Coulomb potentials over integer and noninteger \(n\) Slater orbitals
• Expansion formulae for two-center integer and noninteger \(n\) STO charge densities and their use in evaluation of multi-center integrals
• Molecular integrals for Slater type orbitals using Coulomb Sturmians

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