The computed XE spectrum was blue-shifted by 17.1 eV to achieve the best global match between the computed spectra and the experimental spectrum. The shift for the XE spectrum is different from the shift used for XA spectra, primarily because the XA spectrum was computed for a neutral species and the XE spectrum derived from the open shell ionized species. The experimental peaks above 680 eV arise from shake up states and are absent in our simulation. As depicted in FIG. , the DFT-ROCIS simulated spectrum actually matches well in the emission energies corresponding to decay from the