Semiempirical calculations of the polarizability and second-order hyperpolarizability of fullerenes (C60 and C70), and model aromatic compounds

The authors present the results of molecular orbital calculations of the polarizability and second-order hyperpolarizability of several aromatic hydrocarbons and C{sub 60} and C{sub 70}. For the hydrocarbons, the authors look at the question of what types of additions to the ring structure have the largest effects on polarizability. The authors are interested in the ability to predict the microscopic properties of molecules which will affect their non-linear optical properties.