Hyperfine-structure constants of the II ion and the nuclear quadrupole moment
Phys. Rev. A 114, 012816 – Published 20 July, 2026
DOI: https://doi.org/10.1103/nsz1-hmvf
Abstract
In this work, we calculate the hyperfine-structure constants of the ion using a relativistic hybrid approach that combines configuration-interaction and coupled-cluster singles and doubles methods. Magnetic-dipole and electric-quadrupole hyperfine-structure constants are determined for the states arising from the , and configurations. For most of these states, our magnetic-dipole hyperfine-structure constants agree well with available experimental data and represent a substantial improvement over previous theoretical results. By combining our calculated electric-field gradients with the measured electric-quadrupole hyperfine-structure constants for the , and states within the configuration, we derive a nuclear quadrupole moment , which is fully consistent with the value recently obtained from molecular data [J.-P. Dognon and P. Pyykkö, Phys. Chem. Chem. Phys. 27, 20453 (2025)].