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中文摘要：
采用半经验的Austin Model 1（AM1）方法，计算了齐分子Poly（Thienylene Vinylene）（PTV）的中性态和掺杂态的几何结构特性。与中性态相比，带电态下齐分子PTV的几何结构表现在C—C键键长发生显著的变化，单电荷掺杂导致极化子元激发；双电荷掺杂产生双极化子元激发，即使增加链长，仍在链中产生双极化子而不是两个分立的单极化子；掺杂4个电荷时，在齐分子PTV链中产生两个分立的双极化子。
英文摘要：
The semiempirical AM1（Austin Model 1） method was used to oxidized oligothienylenevinylenes. Comparing with the neutral state , the c calculate the geometric properties of neutral and hanges of the bond lengths of the charged states are very evident. The singly oxidized state is corresponding to polaron and the doubly oxidized state to bipolaron. The bipolarons are always more stable than the polarons even if the chain length contain fifteen thiophene rings（ 15PTV）. The quadruple oxidized slate is corresponding to two separate bipolarons.
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