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Exploiting time-reversal symmetry in ligand-field calculations

✍ Scribed by Mark J. Riley

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 321 KB
Volume: 182
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(91)80126-i

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✦ Synopsis

It is shown that for all point groups which contain Cz or C, as an invariant subgroup, the ligand-field eigenvalue problem for odd-electron systems can be reduced to half the size. The procedure is a consequence of the way the eigenfunctions transform under time reversal.

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