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中文摘要：
通过引入简并破缺项,建立了非等势垒Kronig-Penney方势阱模型,在实坐标空间中研究了基态非简并聚合物——顺式聚乙炔的基态及其激发态,并与紧束缚模型所得到的结果进行了比较.给出了体系的电子态、电荷密度等在实坐标空间的分布特征.发现在坐标空间研究可以更加准确地反映体系的电子态密度、电子空间密度分布等特征.
英文摘要：
The ground and the excited states for the nondegenerate polymer such as cis-PA have been studied using the Kronig-Penney model with unequal potential barriers in the real space.The electronic states,the electron density distributions,and the lattice distortions in the system with different states are obtained.By comparing with those obtained in the Su-Schrieffer-Heeger（SSH） model,we find that our results of electron state densities and electron density distribution are more precise.
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