Static dipole polarizabilities and hyperpolarizabilities of dicyanopolyacetylenes

The basis set and electron correlation effects in calculations of static dipole polarizabilities and second hyperpolarizabilities of the dicyanopolyacetylene series including C2N2, C4N2, C6N2, C8N2 and C10N2 are discussed. The effect of electron correlation was found to be relatively small in calculations of dipole polarizabilities; however, values of the hyperpolarizabilities were increased by about 50% with respect to the SCF ones.