Two-center overlap integrals, three dimensional adaptive integration, and prolate ellipsoidal coordinates

DOI10.1007/S10910-008-9401-8MaRDI QIDQ1028017zbMATH OpenOpenAlexFDO

Authors Zbigniew Romanowski, Abraham F. Jalbout

Publication date 30 June 2009

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-008-9401-8

zbMATH Keywords

overlap integraladaptive numerical integrationnumerical atomic orbitalprolate ellipsoidal coordinates

Mathematics Subject Classification ID

Numerical integration (65D30) Multidimensional problems (41A63) Approximate quadratures (41A55)

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• On the Construction of Good Fully Symmetric Integration Rules
• On the construction of multi-dimensional embedded cubature formulae
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• The three-dimensional convolution of reduced Bessel functions and other functions of physical interest

Cited in

(1)

• Efficient algorithm for two-center Coulomb and exchange integrals of electronic prolate spheroidal orbitals

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• SIESTA

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