Photoionization of open-shell nitrogen confined in C60

Abstract

Abstract Endofullerene photoionization of open-shell N@C60 is investigated using a coupled-channel, correlated R-matrix approach with additional modifications for a finite spherical-shell fullerene potential. Particular focus is on the initial-state dependence of the photoionization cross section. Comparisons show significant differences between the 1s 22s 22p 3(4S) initial state and the metastable 2D and 2P states, as well as strong confinement oscillations.