Open-shell calculation on molecules with icosahedral symmetry

The ground and excited states of footballene C₆₀ and dodecahedral C₂₀ carbon species and their ions are calculated in the π-electron approximation by means of Roothaan's open-shell method adjusted for systems of icosahedral symmetry. Ionization potentials and electron affinities are presented. The lowest singlet and triplet transitions of all possible symmetry types of the I_h-group are obtained for these molecules by a Cl method including all singly excited configurations.