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用激发态相关基函数理论,计算了电子-电子相互作用对导电聚合物能带宽度的影响。结果表明,与单电子理论相比,计入电子-电子相互作用后,能带宽度明显变窄,变化为-25.9%。By using the electron correlated basis function of excited state, we calculate the effect of electron interaction on the bandwidth of conductive polymers. By taking into account the electron interaction, the bandwidth is apparently narrowed as compared with that obtaind with single-electron theory. The difference is -25.9%.
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