Abstract
Optical absorption spectrum for the Ce@C82 endohedral fullerene has been studied using the density-functional theory and the many-body Green's-function approaches. The geometry optimization was performed using the DMol3 software. A plane wave approach as implemented in the ABINIT package has been used to solve the Kohn-Sham equation. Self-energy was evaluated by the GW approximation. Finally the optical absorption spectra have been calculated using the random phase approximation (RPA), RPA plus self-energy correction (RPA-GW) and the Bethe-Salpeter equation (BSE-GW).
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