高离化态类铁、类钴、类镍等电子序列离子的能级结构

The Theory Calculation of the Atomic Energy Level for Fe-like, Co-like, Ni-like Ions Configuration

摘要: 用多组态自洽场方法, 系统地计算了高离化态类铁等电子序列FeⅠ～XeⅩⅩⅨ离子 3p63d8、3p53d9组态、类钴等电子序列CoⅠ～XeⅩⅩⅧ离子 3p63d9,3p53d10, 3p63d84p组态、类镍等电子序列NiⅠ～XeⅩⅩⅦ离子 3p63d94s, 3p63d94p, 3p63d94d组态的能级。计算结果与实验值符合得较好

Abstract: The energy level for highly ionized FeⅠ～Xe ⅩⅩⅨ ions 3p 63d 8, 3p 53d 9 configurations; CoⅠ～Xe ⅩⅩⅧ ions 3p 63d 9, 3p 53d 10, 3p 63d 84p configurations; NiⅠ～Xe ⅩⅩⅦ ions 3p 6 3d 94s, 3p 63d 94p, 3p 63d 94d configurations are calculated by using multiconfiguration selfconsistent field method together with the fitting formula proposed in present work. The calculations are in good agreement with the experiments.