Multicentre two-electron Coulomb and exchange integrals over Slater functions evaluated using a generalized algorithm based on nonlinear transformations

DOI10.1088/0305-4470/37/10/006zbMath1044.81027OpenAlexW2062322652MaRDI QIDQ4466233

Lilian Berlu, Hassan Safouhi

Publication date: 9 June 2004

Published in: Journal of Physics A: Mathematical and General (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1088/0305-4470/37/10/006

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Other functions defined by series and integrals (33E20) Molecular physics (81V55) Numerical integration (65D30) Numerical approximation and evaluation of special functions (33F05)

Related Items (4)

Numerical treatment of a twisted tail using extrapolation methods ⋮ Bessel, sine and cosine functions and extrapolation methods for computing molecular multi-center integrals ⋮ The Fourier transform method and the \(S\overline D\) approach for the analytical and numerical treatment of multicenter overlap-like quantum similarity integrals ⋮ Rational approximants to evaluate four-center electron repulsion integrals for \(1s\) hydrogen Slater type functions

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