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AB initio method for treatment of spatially extended systems II grouping of atomic two-electron integrals

✍ Scribed by E. Kapuy; C. Kozmutza; Zs. Ozoróczy


Book ID
112981462
Publisher
Springer-Verlag
Year
1989
Tongue
English
Weight
272 KB
Volume
65
Category
Article
ISSN
1219-7580

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📜 SIMILAR VOLUMES


Ab initio program for treatment of relat
✍ C. Kozmutza 📂 Article 📅 1987 🏛 John Wiley and Sons 🌐 English ⚖ 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