Calculations of the polarization energies for single charges and charge-transfer states in fullerene C60 microcrystals

The self-consistent polarization field (SCPF) method is applied to calculate the polarization energies for single charges and for the two lowest charge-transfer (CT) states in fullerene C60 microcrystals within the point-molecule approximation and submolecule treatment. The obtained energies are compared with the results of the Fourier-transform method for bulk crystals. Relevance of the results to the experimentally observed absorption spectra of fullerene microcrystals [J. Phys.: Condens. Matter 10 (1998) 2347] is discussed.