Figure 3
From: Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing
The experimental RIXS spectra (red lines) are compared with theoretical simulations using original ab initio PEC of E′ state (dashed lines) and a shifted E′ potential (blue lines) withEmin = 12.52 eV.
The theoretical spectra are convoluted with instrumental broadening 0.16 eV. The high resolution theoretical RIXS profiles are shown below the convoluted spectra. The experimental lines are shifted slightly upwards for the sake of clarity. Panel (a) compares theoretical simulations for ω = 533.46 eV when Coulomb mixing of the crossing “bright” and “dark” states is included (upper plot) with the case when this mixing is neglected (lower plot). Spectral regions related to the valence and Rydberg states are pointed schematically by shaded areas in the plot (a).
