用二维复式晶格有限集团模型计算聚乙炔的电子结构  

Electron structure calculation of polyacetylene with the model of the two-dimensional compound lattice finite clusters

作　　者：杨慧[1] 

机构地区：[1]浙江大学物理系

出　　处：《原子与分子物理学报》2002年第4期411-416,共6页Journal of Atomic and Molecular Physics

摘　　要：以二维复式晶格作为有限系统的集团模型 ,在紧束缚近似下 ,计算了π电子在最近邻及次近邻跳跃集团的态密度。In the paper, the two dimensional finite compound lattice are taken as the model of clusters. The tight binding approximation is used to calculate the densities of the states for the nearest neighbour and the second neighbour hopping of π electron. The different structural parameters effect on the densities of the states and the band width are discussed.

关 键 词：二维复式晶格 有限集团模型 计算 聚乙炔 态密度 电子结构 Π电子 带宽 

分 类 号：O632.17[理学—高分子化学] O631.1[理学—化学]