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Efficient evaluation of one-center three-electron Gaussian integrals

✍ Scribed by Peter Wind; Trygve Helgaker; Wim Klopper


Publisher
Springer
Year
2001
Tongue
English
Weight
134 KB
Volume
106
Category
Article
ISSN
1432-2234

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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