Open AccessApplications of molecular dynamics simulation in nonlinear optics
Author(s) -
Ke Zhao,
Pengwei Liu,
Guangchao Han
Publication year - 2011
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.60.124216
Subject(s) - molecular dynamics , nonlinear system , nonlinear optics , electric field , absorption (acoustics) , poling , two photon absorption , nonlinear optical , modulation (music) , materials science , field (mathematics) , chemical physics , photon , optics , optoelectronics , physics , quantum mechanics , dielectric , ferroelectricity , laser , mathematics , acoustics , pure mathematics
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.