Experimental and theoretical results of resonant and normal Auger decay in dichloromethane

The Auger electron spectra after the chlorine 2p excitation and ionization in the gas phase CH 2 Cl 2 and CD 2 Cl 2 molecules were investigated both theoretically and experimentally. A series of high-level ab initio quantum mechanical calculations have been performed at multiconfigurational self-consistent field (MCSCF) and multireference configuration interaction (MRCI) levels of theory to compute the Cl L 2,3 VV Auger lines. Calculations were compared with the corresponding experimental photoexcited and photoionized spectra. Graphical abstract