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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Publication:2468685
DOI10.1007/s10910-006-9111-zzbMath1198.81211OpenAlexW2086705499MaRDI QIDQ2468685
Publication date: 25 January 2008
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-006-9111-z
Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Atomic physics (81V45)
Related Items (7)
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 ⋮ Comment on ``Analytical evaluation for two-center nuclear attraction integrals over Slater type orbitals by using Fourier transform method ⋮ Expansion formulae for two-center charge densities of integer and noninteger \(n\) generalized exponential type orbitals applied to evaluation of multicenter multielectron integrals ⋮ Combined theory of two- and four-component complete orthonormal sets of spinor wave functions and Slater type spinor orbitals in position, momentum and four-dimensional spaces ⋮ 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 ⋮ Calculation of two-center nuclear attraction integrals of Slater type orbitals with noninteger principal quantum numbers using Guseinov's one-center expansion formulas and Löwdin-\(\alpha \) radial function ⋮ On the mathematical nature of Guseinov's rearranged one-range addition theorems for Slater-type functions
Cites Work
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- Calculation of multicenter electronic attraction, electric field and electric field gradient integrals of Coulomb potential over integer and noninteger \(n\) Slater orbitals
- On the eigenfunctions of many-particle systems in quantum mechanics
- A matrix representation of the translation operator with respect to a basis set of exponentially declining functions
- A Quantum Mechanics Treatment of the Water Molecule
- Addition theorem of Slater type orbitals: a numerical evaluation of Barnett–Coulson/Löwdin functions
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