On the satellite structure accompanying the ionization of benzene

The satellite structure accompanying the valence-shell ionization of benzene is investigated by means of the many-body Green function method. The results are discussed and compared with experimental and other calculations. Interesting satellite lines are found in the outer-valence region of the ionization spectrum. In particular, the prominent intense low-lying π-π∗ shake-up state, 1e1g−21e2u, 2A2u, which has recently been observed in the Penning ionization electron spectrum is well reproduced by the present calculations. A pronounced splitting of the spectral intensity is predicted for the inner-valence ionizations, implying a complete breakdown of the molecular orbital picture of ionization.