LOCAL DENSITY FUNCTIONAL ELECTRONIC-STRUCTURES OF 3 STABLE ICOSAHEDRAL FULLERENES

Local density functional (LDF) electronic structures of icosahedral C60, C180, and C240 are compared. These molecules are remarkably similar, and nothing is found to suggest that the two larger molecules are less stable than C60. Ionization potentials are calculated by using both the transition-state approximation and differences between self-consistent-field calculations. Comparing these with one-electron eigenvalues supports the interpretation of photoelectron line shapes using theoretical cross sections calculated from LDF one-electron states of these large, highly symmetric molecules.