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Ab initio program for treatment of related molecules. I. Integral part

✍ Scribed by Cornelia Kozmutza


Publisher
Springer
Year
1981
Tongue
English
Weight
507 KB
Volume
60
Category
Article
ISSN
1432-2234

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Ab initio program for treatment of relat
✍ C. Kozmutza πŸ“‚ Article πŸ“… 1987 πŸ› John Wiley and Sons 🌐 English βš– 921 KB

An integral transformation procedure is reported as a part of an ab initio program (named SYCETY) developed recently for spatially extended molecules. It is shown that all advantages of the program SYCETY can be kept. The procedure is especially suitable to transform the integrals to a localized bas

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