论文标题
ER $^{2+} $的能级结构和过渡数据
Energy level structure and transition data of Er$^{2+}$
论文作者
论文摘要
本文的主要目的是提出地面的准确能量水平[Xe] $ 4f^{12} $，并首先激发[Xe] $ 4F^{11} 5D $ configurations er $ $^{2+} $的配置。 ER $^{2+} $ ion的能量水平结构是使用多元素figuration dirac-hartree-fock和相对论配置互动（RCI）方法计算的，如Grasp2018程序包中所实现。 RCI计算中包括BREIT相互作用，自能和真空极化校正。计算中使用了零一阶方法。属于[Xe] $ 4F^{12} $和[Xe] $ 4F^{11} 5D $配置的所有（399）状态的$ LS $耦合的能量水平。计算了这两种配置级别之间的电偶极子（E1）过渡数据。通过研究过渡速率作为量规参数的函数以及评估取消因子的函数来评估这些数据的准确性。使用不同的策略研究了核心电子相关性。本研究中针对地面状态和可用实验或半经验数据的激发配置获得的根平方偏差分别为649 cm $^{ - 1} $和747 cm $^{ - 1} $。
The main aim of this paper is to present accurate energy levels of the ground [Xe]$4f^{12}$ and first excited [Xe]$4f^{11}5d$ configurations of Er$^{2+}$. The energy level structure of the Er$^{2+}$ ion was computed using the multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction (RCI) methods, as implemented in the GRASP2018 program package. The Breit interaction, self-energy and vacuum polarization corrections were included in the RCI computations. The zero-first-order approach was used in the computations. Energy levels with the identification in $LS$ coupling for all (399) states belonging to the [Xe]$4f^{12}$ and [Xe]$4f^{11}5d$ configurations are presented. Electric dipole (E1) transition data between the levels of these two configurations are computed. The accuracy of the these data are evaluated by studying the behaviour of the transition rates as functions of the gauge parameter as well as by evaluating the cancellation factors. The core electron correlations were studied using different strategies. Root-mean-square deviations obtained in this study for states of the ground and excited configurations from the available experimental or semi-empirical data are 649 cm$^{-1}$, and 747 cm$^{-1}$, respectively.
