ELECTRONIC-STRUCTURE AND OPTICAL-PROPERTIES OF BARE AND COATED C-60 MOLECULES

Ground state electronic structures of C-60 and metal coated C-60, mode led with the clusters Li12C60 and Li32C60, are analyzed within the loc al density functional approximation. The low-energy part of the linear -response spectra of a bare C-60, Li12C60 and Li32C60 is also studied. The Kohn-Sham molecular wavefunctions are used for the evaluation of dipole matrix elements and polarizabilities, and the effect of screeni ng the oscillator strengths is found using a simplified RPA approach. For the Li-coated C-60 species the electronic level diagram shows corr espondence to the C-60 level diagram but with new levels originating f rom Li close to the Fermi level. New structure in the oscillator stren gth distribution from the Li-coating is found at lower energy than the pi plasmon of C-60 at about 6 eV.