Ab initio electronic factors of the A and B hyperfine structure constants for the 5s25p6s P1o 1,3 states in Sn i

Asimina Papoulia, Sacha Schiffmann, Jacek Bieroń, Gediminas Gaigalas, Michel Godefroid, Zoltán Harman, Per Jönsson, Natalia S. Oreshkina, Pekka Pyykkö, Ilya I. Tupitsyn

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1 Scopus citations

Abstract

Large-scale ab initio calculations of the electronic contribution to the electric quadrupole hyperfine constant B were performed for the 5s25p6s1,3P1o excited states of neutral tin. To probe the sensitivity of B to different electron correlation effects, three sets of variational multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction calculations employing different strategies were carried out. In addition, a fourth set of calculations was based on the configuration interaction Dirac-Fock-Sturm theory. For the 5s25p6sP1o1 state, the final value of B/Q=703(50) MHz/b differs by 0.4% from the one recently used by Yordanov et al. [Commun. Phys. 3, 107 (2020)10.1038/s42005-020-0348-9] to extract the nuclear quadrupole moments Q for tin isotopes in the range Sn117-131 from collinear laser spectroscopy measurements. Efforts were made to provide a realistic theoretical uncertainty for the final B/Q value of the 5s25p6sP1o1 state based on statistical principles and on correlation with the electronic contribution to the magnetic dipole hyperfine constant A.

Original languageEnglish
Article number022815
JournalPhysical Review A
Volume103
Issue number2
DOIs
StatePublished - Feb 2021

Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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