A particle-on-a-sphere model for C60

A perimeter model for the [pi] electrons of C60 is developed and implemented within the independent particle approximation. Physically, the model gives the energy levels of a particle on a sphere pertubed by the icosahedral potential set up by the 60 carbon atomic cores. Computational techniques are adapted from well known crystal field formalisms. The molecular orbitals are represented by linear combinations of spherical harmonics. One or two adjustable parameters are used to give reasonable agreement with the observed UV-visible spectrum and with semi-empirical and ab initio calculations at a similar level of approximation. A closed-shell ground state, appreciable HOMO-LUMO gap, and electric dipole forbidden HOMO-LUMO transition are predictedPeer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/30843/1/0000505.pd