NLO PROPERTIES OF INTERACTING POLYENE CHAINS

The effects of interchain interactions on the nonlinear optical proper ties for polyacetylene oligomers of various chain lengths are examined at the semiempirical level using a supermolecule model approach. Resu lts have been obtained for energy, polarizability, and second hyperpol arizability. This study shows that interchain interactions tend to att enuate the polarizability and second hyperpolarizability for polyacety lene oligomers. These results point to the necessity of considering in termolecular interactions in theoretical studies of nonlinear optical properties in condensed phases.