I_h对称性约化在SW－X_α方法中的实现与C_（60）的计算

The Implementation of I_h Symmetry Reduction for X_αMethod and the Calculations of C_(60)

Ｉ_ｈ对称性约化在ＳＷ－Ｘ_α方法中的实现与Ｃ_（６０）的计算于微舟，张明瑜，李晓天（吉林大学理论化学研究所，理论化学计算国家重点实验室，长春，１３００２３）关键词ＳＷ－Ｘ_α方法，对称性约化，电离能，ＵＶ光谱在合成出Ｃ（６０）并发现它具有超导性质后，围...

In this paper,I_h group symmetry reduction scheme has been programmized, and the electronic structure, the ionization potential and UV spectra for C_(60) have been calculated by Xα method.The results agree with experimental values.