Ab initio calculation of Auger spectra for carbon monoxide

We present theoretical Auger spectra for the CO molecule and use configuration interaction to describe electron correlation and relaxation effects in the core-excited ion states as well as in the final dicationic states. From the results of various calculations which take into account different amounts of electron correlation by restriction of the virtual excitations it is concluded that correlation of the valence electrons is already sufficient in order to reproduce the main features of the experimental Auger spectra.