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Computational study reports hyperfine structure constants for low-lying calcium II and radium I–II ions, highlighting reliable baseline data for unmeasured states.
Building on our previous Multiconfiguration-Dirac-Hartree-Fock (MCDHF) computational strategies taylored for the hyperfine structure (HFS) of low-lying levels in one-valence electron Sr II and Ba II ions, and in two-valence electrons Ba I atom [Nezosi et al, Atoms 14, 17 (2026). DOI: 10.3390/atoms14030017], we successfully extend these methodologies along the alkaline-earth elements to the lighter Ca II and the heavier Ra I-II ions. MCDHF recommended HFS constant with their uncertainty estimates are reported for the first time. This is particularly valuable for cases where no measurement is available such as for the [Rn]6d~²D3/2,5/2 levels in 223,225Ra~II, for the [Rn]7s6d~³D1,2,3 and ¹D₂ levels in ²²³Ra~I, for the [Rn]7s6d~³D2,3 and ¹D₂ levels in ²²³Ra~I, and for the [Rn]7s7p~³Pᵒ₂ level in ²²⁵Ra~I. In all cases, our MCDHF values agree with the ones found in the literature within our error bars. For the ²D5/2 levels in Ca~II and Ra~II, the discrepancies with experiment observed in Sr~II and Ba~II for the HFS A constant [Nezosi et al, Atoms 14, 17 (2026). DOI: 10.3390/atoms14030017] are not seen.
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Nezosi et al. (2026) studied this question.
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