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用自洽迭代的方法研究了顺式聚乙炔中双极化子的能谱及其附近的局域振动模.结果发现:1)在顺式聚乙炔中,双极化子的电子束缚态数目和位置仅取决于耦台参数λ和电子相互作用U,这类似于反式聚乙炔;参数t_l(消除基态二度简并)虽不能改变电子局域态的个数,但影响了双极化子附近局域模的数目.2)电子相互作用不仅使局域模的频率发生了漂移,而且增加了局域模的个数,这不同于反式,3)局域模的局域性随耦合参数λ以及电子相互作用U的增加而增强,随参数(?)的增大而减弱.
The self-consistent iterative method was used to study the energy spectrum of the bipolaron in cis-polyacetylene and its local vibrational modes. The results showed that: 1) In cis-polyacetylene, the number of electron- And the position depends only on the coupling parameter λ and the electron interaction U, which is similar to trans-polyacetylene; parameter t_l (elimination of second-order ground state degeneracy) does not change the number of electronic local states but affects dual polarization The number of local modes near the sub-population.2) The electronic interaction not only makes the frequency of the local mode drift, but also increases the number of local modes, which is different from the trans, 3) the localization of the local mode The coupling parameter λ and electron interaction U increase and increase with the increase of the parameter (?).