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利用有限场／ＡＭ１方法对具有Ｄ－π－Ａ结构的Ｎ－亚苄基苯胺衍生物的一阶极化率、非线性光学二阶和三阶极化率进行了计算，并考察和讨论了不同取代基对分子的非线性光学性质的影响。
The first-order polarizabilities, nonlinear optical second-order and third-order polarizabilities of N-benzylideneanilide derivatives with D-π-A structure were calculated by the finite field / AM1 method and investigated and discussed Influence of Different Substituents on Nonlinear Optical Properties of Molecules.