https://doi.org/10.1140/epjd/s10053-025-01105-8
Regular Article – Atomic Physics
Atomic determination of the nuclear quadrupole moment 
using the multi-configuration Dirac–Hartree–Fock method
1
Institute of Applied Physics and Computational Mathematics, 100088, Beijing, China
2
Instytut Fizyki Teoretycznej, Uniwersytet Jagielloński, Kraków, Poland
3
Spectroscopy, Quantum Chemistry and Atmospheric Remote Sensing, Université libre de Bruxelles, 1050, Brussels, Belgium
4
Department of Materials Science and Applied Mathematics, Malmö University, 20506, Malmö, Sweden
Received:
27
March
2025
Accepted:
27
November
2025
Published online:
12
December
2025
The multi-configuration Dirac–Hartree–Fock method implemented in the Grasp2018 package was employed to calculate the magnetic dipole hyperfine interaction constants and electric field gradients of levels in the ground configuration of the neutral bismuth atom. Combining the calculated electric field gradient of the ground state with the measured electric quadrupole hyperfine interaction constant, we extracted the nuclear quadrupole moment for the 
Bi isotope, 
mb. A “world average” value of the nuclear quadrupole moment of this isotope, 
mb, was deduced from the present result combined with a large sample of other theoretical values obtained with elaborate atomic- and molecular-structure calculations.
Copyright comment Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2025
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
