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About evaluation of many-center molecular integrals

✍ Scribed by Yves G. Smeyers


Publisher
Springer
Year
1966
Tongue
English
Weight
445 KB
Volume
4
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES


Evaluation of GTO molecular integrals
✍ Frank E. Harris πŸ“‚ Article πŸ“… 1983 πŸ› John Wiley and Sons 🌐 English βš– 491 KB

## Abstract Methods for evaluating the function __F~m~__(__t__) occurring in molecular integrals over Gaussian‐type orbitals are reviewed and extended. Formulas based on Bessel function and continued‐fraction expansions are analyzed. The recommended evaluation procedures, embodied in a portable com