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Some simplification in spin-free configuration interaction studies

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Abstract

A simplification has been attempted in the procedures for determining the matrix elements of the generators of the unitary group U(n) over a tensor basis spanning the irreducible representation 〈2N/2−S, 1 2S〉 for an N-electron system. It has been shown that these matrix elements require, for their determination, only the corresponding representation matrices of cyclic permutations of the group S N . A viable algorithm has been obtained for determining these representation matrices.

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Authors and Affiliations

  1. Department of Physics, Indian Institute of Technology, 400 076, Bombay, India

    Girish G. Sahasrabudhe, Kuru. V. Dinesha & Challa R. Sarma

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  1. Girish G. Sahasrabudhe
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  2. Kuru. V. Dinesha
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  3. Challa R. Sarma
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Sahasrabudhe, G.G., Dinesha, K.V. & Sarma, C.R. Some simplification in spin-free configuration interaction studies. Theoret. Chim. Acta 54, 333–339 (1980). https://doi.org/10.1007/BF00552467

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