Abstract.
The two-electron wave function in a system of many equivalent atoms is investigated group-theoretically. It is shown that the classification of different types of two-electron (two-hole) localizations can be made by the double-coset decomposition of the symmetry group with respect to the local subgroup, and that the group appearing in the Mackey theorem can be used for the additional classification of states. The Mackey theorem on symmetrized squares and the generalized Frobenius reciprocity theorem are applied to the construction of two-electron states in octahedral symmetry.
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Received October 23, 1995; revised June 21, 1996; accepted for publication July 1, 1996
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Yarzhemsky, V. Mackey Theorem and Two-Electron Wave Function of a Multi-Centre System. Few-Body Systems 22, 27–36 (1997). https://doi.org/10.1007/s006010050051
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DOI: https://doi.org/10.1007/s006010050051