Atomic Data and Nuclear Data Tables ( IF 1.8 ) Pub Date : 2021-07-29 , DOI: 10.1016/j.adt.2021.101428 G. Gaigalas 1 , P. Rynkun 1 , L. Radžiūtė 1 , P. Jönsson 2 , K. Wang 3, 4
The multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods were used to compute excitation energies and transition data for the 147 lowest states of the even , , , configurations and for the 124 lowest states of the odd , , , , configurations for the P-like ions: As XIX, Kr XXII, Sr XXIV, Zr XXVI, Mo XXVIII, and W LX. E1 transition rates and weighted oscillator strengths among these states are given. Valence–valence, core–valence and core–core electron correlation effects are included. Computed excitation energies and transition data are compared with the NIST recommended values and experimental or theoretical results of other authors. All calculations were performed using the general relativistic atomic structure package GRASP2018.
中文翻译:
类 P 离子的能量和跃迁数据计算:As、Kr、Sr、Zr、Mo 和 W
使用多配置 Dirac-Hartree-Fock (MCDHF) 和相对论配置相互作用 (RCI) 方法计算偶数的 147 个最低状态的激发能和跃迁数据。 , , , 配置和奇数的 124 个最低状态 , , , , P 类离子的配置:As XIX、Kr XXII、Sr XXIV、Zr XXVI、Mo XXVIII 和 W LX。给出了这些状态之间的 E1 转换率和加权振荡器强度。包括价-价、核-价和核-核电子相关效应。计算的激发能和跃迁数据与 NIST 推荐值和其他作者的实验或理论结果进行比较。所有计算均使用通用相对论原子结构包GRASP 2018 进行。