Three-centre two-electron Coulomb and hybrid integrals evaluated using nonlinearD- and barD-transformations

DOI10.1088/0305-4470/32/34/307zbMATH Open0973.33012OpenAlexW2001509121MaRDI QIDQ4947745FDOQ4947745

Authors Hassan Safouhi, Philip E. Hoggan

Publication date 25 April 2000

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

Full work available at URL https://doi.org/10.1088/0305-4470/32/34/307

Mathematics Subject Classification ID

Molecular physics (81V55) Computational aspects of special functions (33F99)

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• `tripleint.cc': A program for 2-centre variational leptonic Coulomb potential matrix elements using Hylleraas-type trial functions, with a performance optimization study
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• Efficient evaluation of Coulomb integrals: the nonlinearD- and -transformations
• An extremely efficient approach for accurate and rapid evaluation of three-centre two-electron Coulomb and hybrid integrals over \(B\) functions.
• Analysis of atomic integrals involving explicit correlation factors for the three-electron case. I: Connection to the hypergeometric function \(_{3}F_{2}\)
• Efficient and rapid evaluation of three-center two electron Coulomb and hybrid integrals using nonlinear transformations.
• Computational Science and Its Applications – ICCSA 2004

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