ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 40, Number 5
JKCSEZ 40(5)
October 20, 1996 

The frequency dependent longitudinal polarizabilities α_zz(ω) and the second hyper-polarizabilities γ_zzzz(ω) of the linear polyenes, C4H6 to C30H32, have been evaluated using the ab initio time-dependent coupled perturbed Hartree-Fock (TDCPHF) theory with the 6-31G basis set. The ratios of the dynamic properties to the static values have been examined to illustrate the relative dispersion effect and extrapolated to the infinite polymer limit. Also the effect of interchain interaction for linear and nonlinear optical properties has been investigated for C4H6 and the theoretical discussion has been described to overcome the limitation of ab initio TDHF method in the resonance region.