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Inter-Coulombic decay (ICD) resonances in the photoionization of Cl@C60endofullerene molecule are calculated using a perturbative density functionaltheory (DFT) method. This is the first ICD study of an open shell atom in afullerene cage. Three classes of resonances are probed: (i) Cl inner vacanciesdecaying through C60 outer continua, (ii) C60 inner vacancies decaying throughCl outer continua, and (iii) inner vacancies of either system decaying throughthe continua of Cl-C60 hybrid levels, the hybrid Auger-ICD resonances.Comparisons with Ar@C60 results reveal that the properties of hybrid Auger-ICDresonances are affected by the extent of level hybridization.

Density functional study of the variants of inter-Coulombic decay resonances in the photoionization of Cl@C60