直链共轭高分子的分子轨道理论(Ⅳ)—维重复单元体系本征方程的单频约化条件及体系的边界态

高等学校化学学报 ›› 1989, Vol. 10 ›› Issue (6): 642.

直链共轭高分子的分子轨道理论(Ⅳ)—维重复单元体系本征方程的单频约化条件及体系的边界态

李加波, 杨忠志, 叶元杰, 唐敖庆

吉林大学理论化学研究所

收稿日期:1988-10-27 出版日期:1989-06-24 发布日期:1989-06-24
通讯作者: 杨忠志

Molecular Orbital Theory on Chain Conjugated Polymers (Ⅳ)— General Condition for Factorizing the Eigenequation of Repeating Unit Systems and Its Boundary States

Li Jiabo, Yang Zhongzhi, Ye Yuanjie, Tang Aoqing

Institute of Theoretical Chemistry, Jilin University, Changchun

Received:1988-10-27 Online:1989-06-24 Published:1989-06-24

摘要/Abstract

摘要： 对于由重复单元构成的体系,如何利用其准周期性及局部对称性约化本征方程一直是一个人们感兴趣的课题^[1～8]。

关键词: 直链一维重复单元, 单频约化条件

Abstract: The relationship between the local symmetry of chain conjugated polymers and the angle of the complex bottom vector D(λ) is given. Based on it, the general condition for the factorizing the eigenequation of chain conjugated polymers is obtained. The analytical form of boundary states is given. It suggests a method to investigate the effects of the size and boundary of polymers.

Key words: Chain conjugated polymers, Condition for factorizing eigenequation

TrendMD:

李加波, 杨忠志, 叶元杰, 唐敖庆. 直链共轭高分子的分子轨道理论(Ⅳ)—维重复单元体系本征方程的单频约化条件及体系的边界态. 高等学校化学学报, 1989, 10(6): 642.

Li Jiabo, Yang Zhongzhi, Ye Yuanjie, Tang Aoqing . Molecular Orbital Theory on Chain Conjugated Polymers (Ⅳ)— General Condition for Factorizing the Eigenequation of Repeating Unit Systems and Its Boundary States. Chem. J. Chinese Universities, 1989, 10(6): 642.