Valence photoionization of noble-gas atoms confined in the fullereneC60

Abstract

A systematic study and comparison of the photoionization cross sections of the outer and inner shells of the noble-gas atoms He, Ne, Ar, Kr, and Xe confined endohedrally inside a ${\text{C}}_{60}$ molecule are calculated by employing a time-dependent local-density-approximation formulation. Confinement resonances are found to be a general feature of these cross sections and dramatic interchannel coupling effects, significantly increasing the atomic cross sections, are exhibited in all cases in the vicinity of the ${\text{C}}_{60}$ plasmons. Hybridization effects, the mixing of the atomic and cage bound-state wave functions, are also found, but no systematics of the hybridization present themselves.