本文用局部非定域分子轨道模型，简化和改进了对双桥基双核Ｍｏ（Ｖ）原子簇化合物电子结 构和电子光谱的计算，结果与实测值吻合，从而证实了这些化合物的电子光谱，主要取决于金属 －金属相互作用。本文还提出了度量原子簇化合物金属相互作用强度的新方法． In this paper, the local non-localized molecular orbital model is used to simplify and improve the calculation of the electronic structure and electronic spectra of double-bridged binary nuclear Mo (V) cluster compounds. The results agree well with the measured values ​​and confirm the electronic spectra of these compounds, mainly Depends on the metal-metal interaction. In this paper, we also propose a new method to measure the intensity of the metal interactions of atomic cluster compounds.