Nonlinear optical properties of the linear polyenes C4H6 through C30H32 are calculated at frequencies below the first resonance using ab initio time-dependent Hartree–Fock theory. The results are used to determine accurate values for the infinite polymer, polyacetylene, by means of a new extrapolation method. Dispersion coefficients describing the low frequency behavior are obtained for the largest oligomer.
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Hasan et al. (1996) studied this question.
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