摘要
在AM1和IND0/CI方法的基础上,用自编程序计算了(CH_3)_2N(C_6H_4)_nCN(n=1→6)系列分子的二阶非线性光学系数β_(ijk)和β_μ,并系统地研究了共轭链长对分子二阶非线性光学系数的影响及β_μ对激光场频率的依赖关系(色散效应).
In the base of AMl and INDO/CI methods, using the program for calculations of the nonlinear optical second-order susceptibilities (β_(ijk) designed by ourselves, we calculated the (β_(ijk)) and (β)of (CH_3)_2N(C_6H_4)_nCN series molecules, n=1→6. We reported a systematic study of the effect of conjugated length on the molecular nonlinear optical second-order susceptibilities and investigated the LASER frequency dependences (dispersions) of
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
1993年第4期334-340,共7页
Acta Chimica Sinica
基金
国家自然科学基金
