Molecular Design of Organic Nonlinear Optical Materials by Computational Chemistry

Abstract

Nonlinear optical materials are considered to be important for advanced optical technology in the future.At present, many researches and developments are carried out to create new inorganic and organic materials.With progress in researches on organic nonlinear optical materials, many attempts using computational chemistry such as molecular orbital method have been done to understand the mechanism of nonlinear optical phenomena at molecular level and to design new materials. Here the present status of the molecular design of organic nonlinear optical materials by computational chemistry is reviewed.