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用第一性原理方法得到了金属Ｍｏ的微观电子结构信息，并用电子结构信息精确计算了介质极化矩阵元，从而给出了Ｍｏ的介电常数虚部和光电导谱．理论结果与实验符合甚佳．
The first-principle method was used to obtain the microscopic electronic structure information of metal Mo, and the polarization elements of the medium were accurately calculated by the electronic structure information. The imaginary part of the permittivity and the photoconductivity spectrum of Mo were given. The theoretical results are in good agreement with the experiment.