Electron Correlation Effects in Photoemission from the1πuLevel in Acetylene

Abstract
The photoemission cross section for the 1πu level in acetylene is calculated including electronic correlations using a time-dependent local-density approximation. Structure in the cross section from 12 to 17 eV is identified as arising from a Fano autoionization resonance (2σu1πg) and a redistribution of oscillator strength from a bound-to-bound transition (1πu1πg) to the continuum. A minimum in the observed photoemission asymmetry parameter and the optical frequency polarizability are also accounted for with electronic correlations.