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Calculation of vertical ionization potentials of difluoramine by perturbation corrections to koopmans' theorem

✍ Scribed by Tsutomu Minato; Delano P. Chong

Publisher: Elsevier Science
Year: 1980
Tongue: English
Weight: 385 KB
Volume: 72
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(80)80285-5

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✦ Synopsis

The wrtlcal xcruzatlon potrnuals of dlfluoramme are calculated by perturbation correc~ons to Koopmans' theorem The calculation shows that dlfluoramme has three orerlappmg bands between 15 and 16 eV. The calculated results compare well wti~ the expenmental values. The photoelectron spectrum of dlnuoramme IS compared wth that of OF2 and CH2F2

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