An accurate single-center three-dimensional numerical integration and its application to atomic

Yamamoto, Kazuo; Ishikawa, Hideaki; Fujima, Kazumi; Iwasawa, Misako
June 1997
Journal of Chemical Physics;6/1/1997, Vol. 106 Issue 21, p8769
Academic Journal
Presents the application of a highly accurate single-center three-dimensional numerical integration technique to atomic structure calculations. Integration scheme employing a Stroud-Lebedev formula for spherical integration; Adoption of a division of a radial interval into several subregions for radial integration.


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