On the evaluation of matrix elements of
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L.G. Vanquickenborne; A. Ceulemans
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Article
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1980
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Elsevier Science
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English
โ 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.