计算线性共轭聚合物能谱的群论方法  

The Group Method of Calculating Linear Polyenes Spectra

作　　者：朱小龙[1] 梁会琴[1] 

机构地区：[1]洛阳师范学院物理系,河南洛阳471022

出　　处：《洛阳师范学院学报》2005年第2期42-44,共3页Journal of Luoyang Normal University

摘　　要：本文介绍了简单Hükel模型,讨论了线性共轭聚合物CnHn+2中的SU(2)对称,并从理论上说明,我们可以用H0=αN+βJZ,近似代替H=αN+βq,r′qr,以便用SU(2)群的不可约表示分类能量本征态,从而将通常量子力学中的群论方法用到聚乙稀共轭分子上.This paper describes a simple Hückel model and a approximate SU(2) symmetry for linear polyenes C_nH_ n+2. With theoretical studies we illustrate that H=αN+β∑q, r′qr can be approximated with H_0=αN+[AKβ-]J_z. So that we can use irreducible representation of SU(2) symmetry to classry energy elgenvalues. Then the group method which often was used in quantumist can be usde in conjugate molecules of polyeny ethyenic.

关 键 词：Hückel模型 SU(2)对称 不可约表示 线性共轭聚合物 

分 类 号：O641.121[理学—物理化学] O413.1[理学—化学]