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

DOI10.1007/s10910-008-9401-8zbMath1404.65012OpenAlexW2003613937MaRDI QIDQ1028017

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

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

Uses Software

• SIESTA

Cites Work

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• A Metalgorithm for Adaptive Quadrature
• The three-dimensional convolution of reduced Bessel functions and other functions of physical interest
• Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
• New Developments in Molecular Orbital Theory

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