Many-body calculation of electron affinities: C2 and a prediction for P2

L. S. Cederbaum, W. Domcke, W. Von Niessen

Publikation: Beitrag in FachzeitschriftArtikelBegutachtung

33 Zitate (Scopus)

Abstract

The electron affinities of the molecules, C2 and P2 are calculated by the Green's function formalism which has been successful in determining accurate ionisation potentials of atoms and molecules. The adiabatic electron affinities obtained are AEA(C2)=3.60 eV and AEA(P 2)=0.30 eV compared to the experimental values of 3.54 eV and 0.24+or-0.23 eV respectively. The vibrational structure in the radiative electron-attachment spectra of C2 and P2 is also computed. There is a close relationship between the vibrational structures in electron-attachment and photodetachment spectra.

OriginalspracheEnglisch
Aufsatznummer028
Seiten (von - bis)2963-2970
Seitenumfang8
FachzeitschriftJournal of Physics B: Atomic and Molecular Physics
Jahrgang10
Ausgabenummer14
DOIs
PublikationsstatusVeröffentlicht - 1977
Extern publiziertJa

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