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用量子化学从头算的方法，计算了含偶氮发色团聚酰亚胶分子的二阶非线性极化系数β，并通过发色团在基态和激发态的电荷分布和偶极距的数值对电荷转移的大小进行了讨论。
Using ab initio method, the second-order nonlinear polarizability coefficient β of the azo-chromophore-containing polyimide molecules was calculated. Based on the charge distribution of the chromophore in the ground state and the excited state and the numerical value of the dipole moment The size of the charge transfer is discussed.