✦ LIBER ✦

On the controversial assignment of the ionization potentials of formaldehyde

✍ Scribed by L.S. Cederbaum; W. Domcke; W. von Niessen

Publisher: Elsevier Science
Year: 1975
Tongue: English
Weight: 259 KB
Volume: 34
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(75)80200-4

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✦ Synopsis

The Hartrce-i:ock calculations and the SCF Xa scattered-wave method using overlapping spheres predict B different ordering of the ionization potentials of formaldehyde.

To clarify the problem a Green's function approach includiq many-body effects is used. The caiculatcd ionization potentiais as well as th: vibrational structure of the bands asrce well with experiment. We conclude the Hartrec-Fock assignment to bc the correct one.

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