Energy spectrum and optical transitions in C80 fullerene isomers

The energy spectra of all isomers of the C₈₀ fullerene have been calculated in terms of the Schubin-Wonsowskii-Hubbard model. On this basis, their optical absorption spectra have also been calculated. The optical absorption spectra calculated for the endohedral Ca@C₈₀, Ba@C₈₀, and Sr@C₈₀ fullerenes with the I _h symmetry agree well with the experimental data. This circumstance allows us to conclude that the optical absorption spectra of other isomers (for which experimental data are unavailable) obtained in this work can be used for their identification.