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An IPL 5 program for formal integration using tables

✍ Scribed by Herbert Hauer

Book ID
112013820
Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
534 KB
Volume
7
Category
Article
ISSN
8756-6079

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πŸ“œ SIMILAR VOLUMES

Use of molecular symmetry in two-electro
Use of molecular symmetry in two-electron integral transformation An MP2 program compatible with HONDO 5
✍ P. ČÑrsky; B. A. Hess Jr.; L. J. Schaad πŸ“‚ Article πŸ“… 1984 πŸ› John Wiley and Sons 🌐 English βš– 598 KB

A computer program is described which evaluates the second-order M#ller-Plesset energy using the integral list formed by HONDO 5. In this program use may be made of full molecular symmetry for most common point groups, even if they contain two-dimensional representations. The algorithm for the integ