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The analytical and recursive evaluation of two-center integrals

✍ Scribed by Robin Shakeshaft


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
195 KB
Volume
5
Category
Article
ISSN
0021-9991

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πŸ“œ SIMILAR VOLUMES


Efficient and Rapid Evaluation of Three-
✍ H. Safouhi; P.E. Hoggan πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 111 KB

Among the two electron integrals occurring in the molecular context, the threecenter Coulomb and hybrid integrals are numerous and difficult to evaluate to high accuracy. The analytical and numerical difficulties arise mainly from the presence of the spherical Bessel function and hypergeometric seri