Abstract
The dipole moments (μ), polarizabilities (α), hyperpolarizabilities (β), and second-order hyperpolarizabilities (γ) of benzene, biphenyls, fluorene, styrene, stilbenes, and tolans have been calculated by a finite field method with the PM-3 parametrization of the MNDO Hamiltonian. These results were compared to experimental value obtained from EFISH and THG measurements. Good correlations were obtained, and coefficients between the measured and calculated value (calculated/measured) were 1.11, 0.75, 1.00, and 0.94 for μ, α, β, and γ, respectively
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