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On the computation of high order Rys quadrature weights and nodes

✍ Scribed by Schwenke, David W.

Book ID
121366408
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
329 KB
Volume
185
Category
Article
ISSN
0010-4655

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πŸ“œ SIMILAR VOLUMES

Computation of electron repulsion integr
Computation of electron repulsion integrals using the rys quadrature method
✍ J. Rys; M. Dupuis; H. F. King πŸ“‚ Article πŸ“… 1983 πŸ› John Wiley and Sons 🌐 English βš– 301 KB

Following an earlier proposal to evaluate electron repulsion integrals over Gaussian basis functions by a numerical quadrature based on a set of orthogonal polynomials (Rys polynomials), a computational procedure is outlined for efficient evaluation of the two-dimensional integrals Zx, Zy , and I,.