摘要
高分子导电聚合物是宽能带准一维体系,紧束缚近似下的SSH(Su-Schrieffer-Heeger)模型需要加以改进。本文应用LCAO-MO(Linear Combination of Atomic Orbitals-Molecu-lar Orbitals)方法求得了准一维的高分子导电聚合物的π电子能谱,其结果与用其它方法所得结果完全一致。
The conduction polymers with wide band-width are quasi-one-dimensional systems,but the SSH (Su-Schrieffer-Heeger) model based on the tight-binding approximation is need to be improved. In this paper,the π-electron energy spectrums are abtained by using LCAO-MO(Linear Combination of Atomic Orbitals-Molecular Orbitals) approach for the quasi-one-dimensional conducting polymers. Our results are consistent with that based on other method.
出处
《郑州轻工业学院学报》
1993年第1期78-82,共5页
Journal of Zhengzhou Institute of Light Industry（Natural Science）
关键词
能谱
导电性
高聚物
polymer,dimerization,LCAO-MO approach,energy spectrum,non-nearest neighbor hopping
