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对一系列液体分子进行了理论计算，运用多元回归分析建立了分子结构与纯液体介质光致克尔常数之间的定量关系，从光与分子作用和分子与分子间相互作用的角度对光致克尔效应进行了探讨。结果表明，纯液体介质的光致克尔常数与分子的前线轨道能级（能隙）、偶极矩和空间内最负的静电势之间存在着良好的线性相关关系。
A series of liquid molecules are theoretically calculated. The quantitative relationship between the molecular structure and the photopic Kerr constant of a pure liquid medium is established by multiple regression analysis. From the perspective of light and molecular interaction and the interaction between molecules and molecules, Kerr effect was discussed. The results show that there is a good linear correlation between the photo-induced Kerr constant and the frontier orbital energy level (energy gap), the dipole moment and the negative electrostatic potential in the space.