【摘要】 <正> 1 计算方法在本文中我们利用推广的SSH 模型,采用自洽迭代的数值计算方法,得到C₆₀分子基态、激发态的电子能谱和几何结构.这与分子轨道和密度泛函理论的计算结果是极相符的.在研究导电聚合物,特别是trans-polyacetylene 链的电子态时,苏武沛等提出了著名的SSH 模型,从理论上阐明了非线性元激发（孤子、极化子、双极化子）的物理图象.鉴于C₆₀分子与PA 链有某些相似之处,实验证实了C₆₀分子中的每个C 原子,通过三个σ电更多还原

【Abstract】 The electronic states of a C₆₀ molecule have been calculated by using the SSHmodel.The electronic energy spectrum and dimerization on molecular structure arein good agreement with that obtained from the method of molecular orbit and localdensity function theory.With the SSH model,there is string polaron for both neu-tral excited and charged C₆₀ molecule,and this is consistent with the experimentalresults.Besides,a comparison has been made between C₆₀ and polacetylene.更多还原