The electromagnetic response of the fullerene C60 in the energy range 0

No abstract

Using realistic nonlocal pseudopotentials to describe ion-valence electron interaction, we perform self-consistent calculations of ground and excited states of spherical alkah-metal clusters within the local-density approximation.The ion pseudopotential is uniformly averaged in the cluster sphere within the proposed pseudopotential jellium model. It is found that in small clusters, pseudopotentials lead to predictions that strongly improve those of the jellium model and are very close to the results found previously with pseudo-lamiltonians.

A simple, yet accurate solution of the electron-phonon coupling problem in C 60 is presented. The basic idea behind it is to be found in the parametrization of the ground state electronic density of the system calculated making use of ab-initio methods, in term of sp 2+x hybridized orbitals. This parametrization allows for an economic determination of the deformation potential associated with the fullerene's normal modes. The resulting electron-phonon coupling constants are used to calculate Jahn-Teller effects in C − 60 , and multiple satellite peaks in the corresponding photoemission reaction. Theory provides an accurate account of the experimental findings.