电子关联对聚乙炔中激子类型的影响

在SSH哈密顿基础上引进电子关联，对反式聚乙炔链中光致激子的产生和演化过程实施分子动力学模拟。弱关联强度U取值0～1.250 eV，V =U/2取值0～0.625 eV .计算结果表明，关联强度的大小影响链中元激发类型，U＜0.555eV时产生的元激发为孤子-反孤子对，U ＞0.555eV 时产生的元激发为正负荷电极化子对。为进一步讨论该类型一维系统中不同类型激子的产生、输运、衰减等动态过程，关联强度U的选择提供参考。

Effect of electrons correlation on excitations in polyacetylene

Adding a term of electrons correlation to the SSH model, we have simulated the formation and envolution of exciton in trans-polyacetylene. It is showed that the weak electrons correlation effects the kind of the elementary excitations. If weak correlation strength U is less than 0.555eV , the exciton in trans-polyacetylene is a pair of neutral solitons. If U is more than 0.555eV , the excitons are charged polarons. The result offered useful reference for the choice of U, in formation, transport and annihilate of different excitons in trans-polyacetylene.