陈念贻和温元凯在改进的Slater原子轨函计算的基础上,定义了一无量纲参数——失屏参数R_ξ。但只考虑了内层sp矽和df电子对外层s电子的失屏。实际上,许多元素在某一价态下最后失去的并非均为s电子,也可以是p、d或f电子,这时不仅 CHEN Nian-Yi and WEN Yuai-Kai Based on the improved Slater atomic orbit function, a dimensionless parameter-loss-screen parameter R_ξ is defined. But only consider the inner layer of sp and df electron on the outer layer of s electronic screen. In fact, many elements in the final loss of a valence are not all s electrons, it can be p, d or f electrons, then not only