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Atomic Data Benchmarked by Large-Scale Multiconfiguration Dirac–Hartree–Fock Calculations for Beryllium

Sijie WuShanghai EBIT Lab, Key Laboratory of Nuclear Physics and Ion-Beam Application, Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University 1 , Shanghai 200433,Shaowei TianShanghai EBIT Lab, Key Laboratory of Nuclear Physics and Ion-Beam Application, Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University 1 , Shanghai 200433,Ran SiShanghai EBIT Lab, Key Laboratory of Nuclear Physics and Ion-Beam Application, Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University 1 , Shanghai 200433,Kai WangDepartment of Physics and Anhui Key Laboratory of Optoelectric Materials Science and Technology, Key Laboratory of Functional Molecular Solids, Ministry of Education, Anhui Normal University 2 , Wuhu, Anhui 241000,Per JönssonDepartment of Materials Science and Applied Mathematics, Malmö University 3 , SE-20506 Malmö,Gediminas GaigalasInstitute of Theoretical Physics and Astronomy, Vilnius University 4 , Saultekio Avenue 3, LT-10222 Vilnius,Michel GodefroidSpectroscopy, Quantum Chemistry and Atmospheric Remote Sensing, CP160/09, Université libre de Bruxelles 5 , B-1050 Brussels,A. M. AmarsiTheoretical Astrophysics, Department of Physics and Astronomy, Uppsala University 6 , Box 516, SE-751 20 Uppsala,Chongyang ChenShanghai EBIT Lab, Key Laboratory of Nuclear Physics and Ion-Beam Application, Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University 1 , Shanghai 200433,

Journal of Physical and Chemical Reference Datajournal2026en

ABI

Annotatsiya

The multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods are used to provide excitation energies, radiative transition data, lifetimes, Landég-factors, hyperfine interaction constants and isotope shift parameters for the 99 lowest levels of configurations 1s 22snl (n ≤ 7) + 1s 22p 2 in beryllium. Compared with available experimental excitation energies, the average difference with the standard deviation is 7.08 ± 1.14 cm−1 (0.011% ± 0.003%), which demonstrates the excellent theory-observation agreement. The uncertainties of the transition rates are estimated based on two independent methods. The present MCDHF/RCI oscillator strengths and those obtained from the explicitly correlated Gaussian method all agree within 2%, except for four transitions affected by strong cancellation effects. For lifetimes, hyperfine splittings and isotope shifts, the present MCDHF/RCI results show good agreement with the few available experimental values, supporting the reliability of our predictions for many states lacking experimental measurements. These comprehensive results can be used in line identification and diagnostics of astrophysical plasmas.

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Mavzular

Atomic and Molecular Physics Nuclear physics research studies Laser-induced spectroscopy and plasma

Identifikatorlar

DOI: 10.1063/5.0285265

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