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On the evaluation of one-centre matrix elements of a modified Coulomb interaction operator

✍ Scribed by K V Sane; R P Saxena


Book ID
112925390
Publisher
Indian Academy of Sciences,Royal Society of Chemistry
Year
1980
Tongue
English
Weight
229 KB
Volume
89
Category
Article
ISSN
0253-4134

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On the evaluation of matrix elements of
✍ L.G. Vanquickenborne; A. Ceulemans πŸ“‚ Article πŸ“… 1980 πŸ› Elsevier Science 🌐 English βš– 209 KB

A general algebraic theorem IS presented to calculate the matrLz elements of symmetry operators m a bassls of determlnantal wavefunctlons. It IS also shown how the matrix elements of complementary open-shell wavefunctions are related to each other.