在這一個四年計畫中,我們希望建立對材料 χ(3) (第二階光學非線性、第三階電極化 率)計算與對之進行能帶解析分析的能力。計畫的成功將有助我們了解三倍頻機制與雙 光子吸收等重要非線性光學現象。 In this four year project, we will develop capability of computing χ(3) (second order optical nonlinearity, 3rd-order susceptibility) of materials with band-resolved analysis applied. The success of this project will allow us to understand important nonlinear optical properties of materials such as 3rd-harmonic generation (THG) and two-photon absorption.