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

DOI10.1007/S10910-008-9401-8zbMATH Open1404.65012OpenAlexW2003613937MaRDI QIDQ1028017FDOQ1028017

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

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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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Cited In (1)

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

Uses Software

• SIESTA

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