Ab initio electronic factors of the A and B hyperfine structure constants for the 5s25p6s \; 1,3\! P o1 states in Sn I

Abstract

Large-scale ab initio calculations of the electric field gradient, which constitutes the electronic contribution to the electric quadrupole hyperfine constant B, were performed for the 5s25p6s 1,3\!P o1 excited states of tin, using three independent computational strategies of the variational multiconfiguration Dirac-Hartree-Fock method and a fourth approach based on the configuration interaction Dirac-Fock-Sturm theory. For the 5s25p6s 1\!P o1 state, the final value of B/Q =703(50) MHz/b differs by 0.4\% from the one recently used by Yordanov et~al. [Communications Physics 3, 107 (2020)] to extract the nuclear quadrupole moments, Q, for tin isotopes in the range (117-131)Sn from collinear laser spectroscopy measurements. Efforts were made to provide a realistic theoretical uncertainty for the final B/Q value of the 5s25p6s\,1\!P o1 state based on statistical principles and on correlation with the magnetic dipole hyperfine constant A.

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