Convergence of translation formulas for the computation of multicenter integrals over Slater orbitals
DOI10.1006/jcph.2001.6924zbMath0991.65021OpenAlexW2084520646MaRDI QIDQ5956656
I. I. Guseinov, Bahtiyar A. Mamedov
Publication date: 28 February 2002
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1006/jcph.2001.6924
convergenceSlater-type orbitalsauxiliary functionsexponential-type orbitalsGaussian-type orbitalsmulticenter molecular integralsoverlap integralsquantum numbersscreening constants
Computation of special functions and constants, construction of tables (65D20) Other functions defined by series and integrals (33E20) Numerical quadrature and cubature formulas (65D32) Molecular physics (81V55) Numerical approximation and evaluation of special functions (33F05)
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Cites Work
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- Addition theorems for B functions and other exponentially declining functions
- Natural Orbitals in the Quantum Theory of Two-Electron Systems
- On the eigenfunctions of many-particle systems in quantum mechanics
- Weakly convergent expansions of a plane wave and their use in Fourier integrals
- The termination of the afferent nerve fibre in the muscle spindle of the frog
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