Studies on the Device of Molecules with Nonlinear Optical Second-Order Susceptibilities

Abstract

Abstract: On the basis of INDO/CImethods and according to the sum-over-state expression, we design the program for calculating the nonlinear second-order optical susceptibilities β_ijk and examine the effect of molecular backbones, substituents of electron acceptor, and substituents of electron donor on the NLO susceptibilities β_x.We also design a molecule with the biggest second-order NLO susceptibility β_x.All calculated results are in good agreement with experimental results.

Key words: Molecular devices, Nonlinear second-order optical susceptibility, Excited states

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FENG Ji-kang, GAO Xu-ling, SUN Jia-zhong . Studies on the Device of Molecules with Nonlinear Optical Second-Order Susceptibilities[J]. Chem. J. Chinese Universities, 1992, 13(6): 809.

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Studies on the Device of Molecules with Nonlinear Optical Second-Order Susceptibilities

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