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A means of finding a compact orbital representation for the electronic transition density matrix is described. The technique utilizes the corresponding orbital transformation of Amos and Hall and allows a dramatic simplification in the qualitative description of an electronic transition.
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Richard L. Martin (Fri,) studied this question.
synapsesocial.com/papers/69d68a017244fdb465029c05 — DOI: https://doi.org/10.1063/1.1558471
Richard L. Martin
Los Alamos National Laboratory
The Journal of Chemical Physics
Los Alamos National Laboratory
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