Applications of molecular dynamics simulation in nonlinear optics

被引：1
|
作者：
Zhao Ke [1 ]
Liu Peng-Wei [1 ]
Han Guang-Chao [1 ]
机构：
[1] Shandong Normal Univ, Coll Phys & Elect, Jinan 250014, Peoples R China
来源：
ACTA PHYSICA SINICA | 2011年 / 60卷 / 12期
基金：
中国国家自然科学基金;
关键词：
molecular dynamics simulation; solvent effect; aggregation effect; two-photon absorption; ABSORPTION CROSS-SECTIONS; 2-PHOTON ABSORPTION; INTERMOLECULAR INTERACTION; LIQUID BENZENE; CHROMOPHORES; MEROCYANINE; SUSCEPTIBILITIES; POLAR; CONFORMATIONS; ENHANCEMENT;
D O I：
10.7498/aps.60.124216
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Organic nonlinear optical molecular materials have a number of important applications in frequency transformation, electrooptic modulation, two-photon absorption and so on. In this paper, we introduce the main applications of molecular dynamics simulation in theoretical study on nonlinear optical properties of organic molecules, including the electric field poling effects, the local field factors, the nonlinear susceptibilities, and the two-photon absorption. In addition, the important roles played by molecular dynamics simulation in the study of solvent and aggregation effects are also illustrated in combination with the recent research.
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页数：10
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