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Efficient evaluation of X-ray scattering integrals of Cartesian Gaussian-type functions

✍ Scribed by Barua, M. ;Weyrich, W.

Book ID
114512860
Publisher
International Union of Crystallography
Year
1986
Tongue
English
Weight
567 KB
Volume
42
Category
Article
ISSN
0108-7673

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πŸ“œ SIMILAR VOLUMES

Optimal use of the recurrence relations
Optimal use of the recurrence relations for the evaluation of molecular integrals over Cartesian Gaussian basis functions
✍ Ungsik Ryu; Myeongcheol Kim; Yoon Sup Lee πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 563 KB

## Abstract We consider the tree search problem for the recurrence relation that appears in the evaluation of molecular integrals over Cartesian Gaussian basis functions. A systematic way of performing tree search is shown. By applying the result of tree searching to the LRL2 method of Lindh, Ryu,