Calculations of energy levels, radiative transition parameters, hyperfine structure constants AJ - BJ, Landé gJ factors and isotope shifts for Sc XX using the MCDF-RCI method

Q2 Physics and Astronomy Physics Open Pub Date : 2023-07-01 DOI:10.1016/j.physo.2023.100160
Shikha Rathi, Lalita Sharma
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Abstract

Large scale calculations for the energy levels, transition rates, oscillator strengths, lifetimes, hyperfine interaction constants, Landé gJ factors, and isotope shift factors have been performed for 1s2 and 1snl (n=28andln1) levels of He-like Sc XX ion. The general-purpose relativistic atomic structure package (GRASP2018) based on the fully relativistic multiconfiguration Dirac–Fock (MCDF) method is used to carry out the calculations. The leading quantum electrodynamic corrections, Breit interaction and nuclear recoil effects are also included in the succeeding relativistic configuration interaction (RCI) calculations. The relativistic isotope shift (RIS4) programme is used to determine the mass and field shifts factors. Furthermore, the percentage uncertainty in the transition parameters and lifetimes is estimated. A detailed comparison of the present results with the corresponding values from the NIST database and other theoretical and experimental works, wherever available, has been done, and an excellent agreement is achieved. A large section of the results is reported for the first time in the present work.

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用MCDF-RCI方法计算Sc XX的能级、辐射跃迁参数、超精细结构常数AJ - BJ、land gJ因子和同位素位移
对类氦Sc XX离子的1s2和1snl(n=2−8andl≤n−1)能级的能级、跃迁速率、振子强度、寿命、超精细相互作用常数、LandégJ因子和同位素位移因子进行了大规模计算。使用基于完全相对论多重组态Dirac–Fock(MCDF)方法的通用相对论原子结构包(GRASP2018)进行计算。在随后的相对论组态相互作用(RCI)计算中,还包括了领先的量子电动力学校正、Breit相互作用和核反冲效应。相对论同位素位移(RIS4)程序用于确定质量和场位移因子。此外,还估算了过渡参数和寿命的不确定性百分比。将目前的结果与NIST数据库和其他理论和实验工作中的相应值进行了详细比较,并取得了良好的一致性。本工作首次报告了大部分结果。
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来源期刊
Physics Open
Physics Open Physics and Astronomy-Physics and Astronomy (all)
CiteScore
3.20
自引率
0.00%
发文量
19
审稿时长
9 weeks
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