Abstract
The Auger electron spectra after the chlorine 2p excitation and ionization in the gas phase CH2Cl2 and CD2Cl2 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 L2,3VV Auger lines. Calculations were compared with the corresponding experimental photoexcited and photoionized spectra.
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Contribution to the Topical Issue “Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (2018)”, edited by Károly Tőkési, Béla Paripás, Gábor Pszota, and Andrey V. Solov’yov.
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Santos, A.C.F., Vasconcelos, D.N., MacDonald, M.A. et al. Experimental and theoretical results of resonant and normal Auger decay in dichloromethane. Eur. Phys. J. D 73, 81 (2019). https://doi.org/10.1140/epjd/e2019-90625-y
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DOI: https://doi.org/10.1140/epjd/e2019-90625-y