In this paper, by using DVM-one of the methods based on the first-principles theory and OA theory the author has finished some research work as follows:Firstly, The author has studied the rare metal Rh and Ir systemically.

• 本文运用第一原理方法(DVM方法)和纯金属单原子理论(OA理论)以金属单质为研究对象作了以下几个方面的工作：