Abstract
We calculate the various components of the third-order nonlinear electric susceptibility of the benzene molecule, starting from a CNDO wavefunction. Our theoretical result for the space-fixed nonlinear third-order susceptibility is 6.15 × 10 −36 esu, the corresponding experimental value is 1.58 × 10 −36 esu. We also estimate the contributions from the σ and π electrons to the total susceptibility.
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