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Electron correlation in weakly coupled transition-metal dimers: Di-h3,h3', -cyclooctatetraenedinickel

✍ Scribed by Michael C. Böhm

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 501 KB
Volume: 81
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)80253-9

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✦ Synopsis

Hartree-Fock (HF) instabilities of the singlet, the non-singlet and the non-real type of a binuclear Ni complex are studied by a semi-empirical MO procedure of the INDO type. Breakdown of the HF approximation corresponds to pronounced angular correlation_ Instabilities of this closed-shell system are compared with doublet instabilities observed in cationic hole-states.

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