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The electronic structure of molecules by a many-body approach. Assignment of the photoelectron spectrum of para-C6H4F2

✍ Scribed by W. von Niessen; G.H.F. Diercksen; L.S. Cederbaum


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
451 KB
Volume
45
Category
Article
ISSN
0009-2614

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The photoelectron (PE.) spectrum of the title compound has been assigned by comparison with the PE. spectrum of cubane (2), aided by ab initio STO-3G calculations using localized molecular orbitals. On the basis of the information available to date, the most satisfactory orbital sequence, Koopmans t