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Electron correlation effects in reduced or oxidized mixed-valency molecules

✍ Scribed by Paul D. Hale; M.A. Ratner; G.L. Hofacker

Book ID: 103024198
Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 341 KB
Volume: 119
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)80414-0

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✦ Synopsis

The x lbronrc model ordln.wily wntten [or mixed-valence molecules predicts an intervnlence rransrer (IVT) rrequcncy v. hlch. m the limit of dclocahzcd states. IZ unchanged upon reduction b) one rurther electron This is m sharp diugrtiment wth experlmsnl. bul ~rln he remedwd. qualltnti\el>. by adding one-site Coulomb reputsion lrhich sh1Ct.s the analog or the IVT mto the near ul~mx~ol~~. and an exchange term %hich produces the corrrxt ordering or the energy levels_ thus m.tking a trsncihon analogous to IV-I-apln-rorhlddzn.

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