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用Ｘα方法计算了Ｎｉ（Ｃ５Ｈ５）２的电子能级与归一化电荷，讨论了夹心化合物成键的特点，并用过渡态方法分析Ｎｉ（Ｃ５Ｈ５）２的光电子能谱及紫外可见吸收光谱，结果与实验相符。
The electron energy levels and normalized charges of Ni (C5H5) 2 were calculated by Xα method. The bonding characteristics of the sandwich compounds were discussed. The photoelectron spectra and UV-Vis spectra of Ni (C5H5) 2 were analyzed by the transition state method. In line with the experiment.