NATURAL TRANSITION ORBITALS
Creators:Martin, Richard L.
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Publisher:Ohio State University
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.
Author Institution: Theoretical Division, Los Almaos National Laboratory, Los Alamos; NM 87545
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