Formamide — a green's function calculation on its photoelectron spectrum including satellite lines

Abstract

Ionization potentials including satellite lines are calculated for formamide in the energy range from 10 45 eV. The lower ionization potentials are computed to high accuracy using a many-body Green's function method. Due to the lack of knowledge of an accurate geometry of this molecule the first two bands cannot unambiguously be assigned. Beyond 19 eV a large number of satellite lines appear. The 1a′ and 2a′ main disappeared and their intensity is distributed over numerous lines.