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中国物理学会期刊

类碳离子(Z = 10, 14, 32, 36, 50) 1s22s22p2和1s22s2p3组态的能级和电偶极跃迁

CSTR: 32037.14.aps.74.20250568

Energy levels and electric dipole transitions of 1s22s22p2 and 1s22s2p3 configurations in carbon-like ions (Z = 10, 14, 32, 36, 50)

CSTR: 32037.14.aps.74.20250568
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  • 利用多组态Dirac-Hartree-Fock方法对类碳等电子序列(Z = 10, 14, 32, 36, 50)1s22s22p2和1s22s2p3组态的能级结构和电偶极跃迁行为进行理论研究. 在构建充分包含电子关联效应、规模适当的波函数后, 考虑Breit相互作用、量子电动力学效应和原子核质量效应, 比较分析了价-价关联效应、实-价关联效应和实-实关联效应对原子态激发能的影响, 完成了原子态激发能的高精度理论计算. 与其他理论结果相比, 本文计算的Ne V离子的激发能结果与NIST (National Institute of Standards and Technology)数据最为接近; 其他离子的激发能也具有较好的精度. 在此基础上, 结合LS耦合的原子态混合成分和NIST数据, 对出现的原子态命名情况进行分析, 推测了相应的原子态命名. 本文还计算了组态间电偶极跃迁的谱线波长、跃迁速率、线强和加权振子强度, Ne V和Si IX离子的谱线波长与NIST数据符合得很好, 相对误差小于0.62%; 跃迁速率与其他理论结果比较一致. 另外, 本文计算得到的Babushkin和Coulomb两种规范的电偶极跃迁参数具有良好的一致性, 进一步证明了本文采用的理论方法的准确性和可靠性. 本文数据集可在https://www.doi.org/10.57760/sciencedb.j00213.00145中访问获取.

     

    The atomic energy level structures and transition properties of 1s22s22p2 ground configuration and 1s22s2p3 excited configuration in carbon-like ions with Z = 10, 14, 32, 36, 50 are investigated theoretically using the fully relativistic multi-configuration Dirac-Hartree-Fock (MCDHF) method.
    Based on the wavefunction constructed with careful consideration of electron correlations, the theoretical calculations are completed by taking into account the Breit interaction, quantum electrodynamic effect and nuclear mass effect. Then the effects of three types of electron correlations, namely valence-valence, core-valence, and core-core correlations, on energy levels are studied in detail, and high-precision excitation energies are obtained. Compared with other theoretical results, the calculated excitation energies for Ne V ion are the closest to the NIST (National Institute of Standards and Technology) data, and the excitation energies of other ions also possess relatively high precision. Additionally, by combining the NIST data and the LS coupled atomic state compositions, the fuzziness in identifying atomic states generated from the code is analyzed, and the corresponding renamed atomic states are presented.
    For electric dipole transitions, the transition wavelengths of Ne V and Si IX ions reported in this work are in good agreement with the available NIST data, with the relative errors being less than 0.62%. Their transition ratesaccord well with other theoretical results. And for majority of electric dipole transitions, the electric dipole transition parameters calculated in Babushkin and Coulomb gauges are well consistent with each other, which demonstrates the feasibility and reliability of the MCDHF method for theoretically calculating the energy structures and spectral properties of 1s22s22p2 and 1s22s2p3 configurations in carbon-like ions. The results cover a wide range of levels and transitions for carbon-like ions, and the data are expected to enrich the fundamental database for carbon-like ions and provide valuable theoretical references for relevant studies. The datasets presented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00213.00145.

     

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