Energy levels and radiative rates for transitions in Li-like ions with Z=6-51

This dataset employs the GRASP2018 program package, which is widely used in atomic structure calculations, to systematically compute the energy levels of ground states and the lowest 14 excited states for 17 lithium-like ions across the isoelectronic sequence (Z=6-51: C³⁺, F⁶⁺, Mg⁹⁺, P¹²⁺, Ar¹⁵⁺, Sc¹⁸⁺, Cr²¹⁺, Co²⁴⁺, Zn²⁷⁺, As³⁰⁺, Kr³³⁺, Y³⁶⁺, Mo³⁹⁺, Rh⁴²⁺, Cd⁴⁵⁺, Sn³⁷⁺, Sb³⁸⁺). The calculations are performed using the multi-configuration Dirac-Fock (MCDF) and relativistic configuration interaction (RCI) method, and incorporating high-order relativistic corrections and QED effects such as Breit interactions and vacuum polarization. Additionally, electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2) raditative transition rates between these energy levels are computed. The results are compared with existing data from the NIST database and prior theoretical calculations.The computational results demonstrate good consistency with existing data from the NIST database and other theoretical studies.This dataset comprises two files:‌"Transition Energy Data for Lithium-like Ions"‌ (CSV format, compatible with Excel) contains the excitation energies of the ground state and the lowest 14 excited states for all 17 ions, corresponding to the data presented in Tables 2-4 of the paper.‌"Transition Rate Data for Lithium-like Ions"‌ (CSV format, compatible with Excel) includes the transition rates for 116 E1, M1 and E2 transitions among 15 energy levels, corresponding to the data from Tables 5-7 in the paper. This dataset provides accurate foundational data support for experimental diagnostics and theoretical modeling of astrophysical and laboratory plasmas in future research..

本数据集采用目前广泛应用于原子结构计算的GRASP2018程序包，对等电子序列中Z=6至51的17种类锂离子（C³⁺、F⁶⁺、Mg⁹⁺、P¹²⁺、Ar¹⁵⁺、Sc¹⁸⁺、Cr²¹⁺、Co²⁴⁺、Zn²⁷⁺、As³⁰⁺、Kr³³⁺、Y³⁶⁺、Mo³⁹⁺、Rh⁴²⁺、Cd⁴⁵⁺、Sn³⁷⁺、Sb³⁸⁺）的基态与最低14个激发态的能级进行了系统计算。本次计算采用多组态狄拉克-福克（multi-configuration Dirac-Fock, MCDF）与相对论组态相互作用（relativistic configuration interaction, RCI）方法，并纳入高阶相对论修正以及Breit相互作用、真空极化等量子电动力学（QED）效应。此外，本数据集还计算了上述能级间的电偶极（E1）、磁偶极（M1）与电四极（E2）辐射跃迁速率。所得结果与美国国家标准与技术研究院（National Institute of Standards and Technology, NIST）数据库的已有数据以及前人的理论计算结果进行了对比。计算结果表明，本数据集结果与NIST数据库及其他理论研究的数据具有良好的一致性。本数据集包含两个文件：《类锂离子跃迁能量数据》（CSV格式，兼容Excel），收录了全部17种离子的基态与最低14个激发态的激发能，对应论文中表2至表4的数据；《类锂离子跃迁速率数据》（CSV格式，兼容Excel），包含15个能级间共计116项E1、M1及E2跃迁的跃迁速率，对应论文中表5至表7的数据。本数据集可为未来天体物理与实验室等离子体的实验诊断及理论建模提供精准的基础数据支撑。