分子材料非线性光学性质的理论分析-光学专业论文.docx

山 山东师范大学硕士学位论文 山 山东师范大学硕士学位论文 目 录 中文摘要 I ABSTRACT III 第一章 综述 1 1.1 非线性光学概述 ········································································································1 1.2 分子材料双光子吸收性质的研究进展 ····································································2 1.3 论文的研究背景及主要内容 ····················································································3 第二章 多电子体系的量子化学方法5 HYPERLINK \l _TOC_250001 Born-Oppenheimer 近似 5 HYPERLINK \l _TOC_250000 Hartree-Fock 近似 6 2.3 密度泛函理论简介····································································································7 密度泛函理论（Density Function Theory, DFT） 7 含时密度泛函理论（Time Dependent-DFT） 9 第三章 非线性光学的量子力学理论 11 3.1 密度算符的微扰级数······························································································ 11 3.2 极化率张量元素的一般表达式··············································································12 3.3 双光子吸收截面的计算方法··················································································16 3.3.1 基本理论 ···········································································································16 3.3.2 态求和方法 ·······································································································17 3.3.3 少态模型 ···········································································································17 3.3.4 有限场方法 ·······································································································17 3.3.5 响应函数理论 ···································································································18 第四章 多枝有机分子的双光子吸收特性 21 4.1 研究背景··················································································································21 4.2 分子的结构··············································································································22 4.3 计算方法··················································································································25 4.4 结果分析