摘要
利用基于密度泛函理论水平下的响应场方法,研究了新近合成的双光子有机分子的非线性光学性质.计算结果表明,该类分子具有较好的双光子吸收特性,分子的官能团供需电子的能力、分子的平面性都是影响分子双光子吸收特性的重要因素.
The nonlinear optical properties of newly synthesized organic compounds have been investigated by use of the analytic response field method at density functional theory level. The numerical results show that this kind of molecules has strong two - photon absorption cross - sections. The two - photon absorption of molecules is related to the molecular plane besides the strength of donor and acceptor for pulling and pnshing, electrons.
出处
《山东师范大学学报（自然科学版）》
CAS
2006年第2期46-47,50,共3页
Journal of Shandong Normal University(Natural Science)
基金
山东省自然科学基金资助项目(Y2004A08)
关键词
双光子吸收截面
密度泛函理论
响应场方法
分子光子学
two- photon absorption cross - sections
density functional, theory
response fieM method
molecular photonics
