Efficient and rapid evaluation of three-center two electron Coulomb and hybrid integrals using nonlinear transformations.

DOI10.1006/jcph.1999.6339zbMath1059.33505OpenAlexW1996318020MaRDI QIDQ1819011

P. E. Hoggan, Hassan Safouhi

Publication date: 15 February 2000

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.1999.6339

zbMATH Keywords

nonlinear transformationshybrid integralsrapid evaluation of infinite oscillatory integralsthree-center two electron Coulomb integrals

Mathematics Subject Classification ID

Other hypergeometric functions and integrals in several variables (33C70) Computational methods for problems pertaining to quantum theory (81-08) Software, source code, etc. for problems pertaining to quantum theory (81-04) Molecular physics (81V55) Numerical approximation and evaluation of special functions (33F05)

Related Items (2)

Numerical treatment of a twisted tail using extrapolation methods ⋮ The Fourier transform method and the \(S\overline D\) approach for the analytical and numerical treatment of multicenter overlap-like quantum similarity integrals

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