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Configuration interaction studies on low-lying excited states of acetyl fluoride

✍ Scribed by K. Vasudevan; F. Grein

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 244 KB
Volume: 83
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)85515-7

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✦ Synopsis

Self

-connstent field and conf@uratlon mteractlon ulculatlons were performed on the ground state and the ' (n,x*), 3(n.a*) and 3(n.n*) evxed states ofacetyl fluoride CH3COF Theoretlal vertical excztatlon energes are 4 81 eV for 3(n.n*). 5 27 eV for t (n,n*) and 6 15 eV ior 3(~ a*) The Ltter value IS compared with an evperunental one tound by trapped elcctron spectroscopy

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