中文摘要：

采用密度泛函理论计算分别得到的铂和铑的晶格内聚能-最近原子距离曲线,而后基于晶格反演方法构建得到了铂和铑的晶格反演势。同时详细给出了FCC晶格的反演系数等的具体计算方法和算法。通过将铂和铑的晶格反演势与已有的相应势函数比较发现两者是基本相同的,这证明了构建的铂和铑反演势是有效的。

英文摘要：

The curve of lattice energy and distance of the nearest atom was calculated by density function theory, and the lattice inversion potentials of platinum and rhodium were founded based on lattice inversion theory. The concrete computing technologies and algorithms for inversion coefficient of FCC crystalline were given in detail. The basic parameters of potential are the same through comparing the platinum and rhodium inversion potentials with existing potential. It proves those inversion potentials are effective.