Electric and magnetic properties of fullerenes

We present fully analytical nb initio calculations of the electric polarizability, the second hyperpolarizability, and the magnetizability of the fullerenes C-70 and C-84 at the self-consistent field level of theory using large basis sets and-in the case of the magnetizability-London atomic orbitals in order to obtain gauge-origin independent results. These calculations are the first ab initio studies of such properties for C-70 and C-84 and all results are expected to be of near Hartree-Fock limit quality. By comparison with similar results reported earlier for C-60, valuable insight into the electronic structure of the fullerenes is obtained. (C) 1998 American Institute of Physics.