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中国物理学会期刊

基于MCDHF方法的锶原子5s4d 3D1,2,3, 1D2和5s6s 3S1态超精细结构常数、朗德ɡ因子及寿命的理论研究

Theoretical calculation of hyperfine structure constants, Landé ɡ factors, and lifetimes of the 5s4d 3D1,2,3, 1D2 and 5s6s 3S1 states in strontium based on the Multi-configuration Dirac-Hartree-Fock method

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  • 本文采用多组态Dirac-Hartree-Fock理论,系统优化了锶原子5s5p 3P0,1,2, 1P1, 5s4d 3D1,2,3, 1D2和5s6s 3S1, 1S0态的能级结构,计算了5s4d 3D1,2,3,1D2和5s6s 3S1态的超精细结构常数̖、朗德ɡ因子和寿命。在计算中,系统分析了电子关联效应、Breit相互作用和量子电动力学修正等因素对原子参数的影响。结果表明,对于5s4d3D1,2,3三重态,理论计算得到的磁偶极超精细结构常数A与实验测量值之间的偏差小于3%,对于5s6s 3S1态,A的理论计算与实验测量之间的偏差为0.4%,显著减小了理论计算与实验测量之间的差异。此外,本文还给出了5s4d 3D1,2,3, 1D2和5s6s 3S1态的电四极超精细结构常数B的理论结果,与实验数据基本一致。计算的5s4d 3D1态的朗德ɡ因子与实验的偏差不超过10–4量级。本文的研究不仅为量子信息、精密测量等相关实验研究提供了可靠的理论参数,也为进一步基于该方法系统研究电子关联等物理效应对高激发态原子参数的影响提供了依据。

    Strontium atoms are widely used in quantum information and precision measurement, with their excited states 5s4d 3D1,2,3 and 5s6s 3S1 playing key roles in related experiments. However, existing key atomic parameters such as hyperfine structure constants and Landé-ɡ factors are inconsistent, limiting further research. In this work, we employed the Multi-configuration Dirac-Hartree-Fock (MCDHF) method to systematically optimize the energy levels of the 5s5p 3P0,1,2, 5s4d 3D1,2,3, 1D2 and 5s6s 3S1, 1S0 states for strontium, and focused on calculating the hyperfine structure constants (A and B) and Landé-ɡ factors of the 5s4d 3D1,2,3, 1D2, and 5s6s 3S1 states. We comprehensively considered electronic correlation effects through an active space approach and multi-reference single and double excitations (MR-SD) method. The Breit interaction and quantum electrodynamics (QED) corrections were also included to improve calculation accuracy. Moreover, a rigorous uncertainty assessment was conducted in this work. Our results show that the magnetic dipole hyperfine structure constant A of the 5s4d 3D1,2,3 triplet has a deviation of less than 3% from experimental values, while that of the 5s6s 3S1 state is only 0.4%, significantly reducing the prior theory-experiment discrepancy, as shown in Fig.1. Notably, we first reported the theoretical values of the electric quadrupole hyperfine structure constant B for the 5s4d 3D1,2,3 states, which are in good agreement with experimental data, filling the theoretical gap. The Landé-ɡ factor of the 5s4d sup>3D1 state deviates by no more than 10-4 from the experimental value, achieving higher precision than previous studies. Additionally, the calculated lifetimes of these states are consistent with most theoretical and experimental results. This work provides high-precision theoretical parameters for experiments related to strontium optical lattice clock and quantum information, and verifies the reliability of the MCDHF method in studying highly excited atomic states, laying a foundation for further research on atomic structure and propertie.

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