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An efficient method for using molecular symmetry: Theory

✍ Scribed by Cornelia Kozmutza


Book ID
119116349
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
530 KB
Volume
123
Category
Article
ISSN
0166-1280

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An Efficient Method for using Molecular
✍ C. Kozmutza; Zs. OzorΓ³czy πŸ“‚ Article πŸ“… 1986 πŸ› John Wiley and Sons 🌐 English βš– 421 KB

The molecular symmetry has previously been used in an effective way for the reduction of the number of two-electron integrals to be calculated. Here the method is further developed in such a way that the zero integrals due to the molecular symmetry can be easily selected in advance. It is pointed ou