Ab initio electronic factors of the A and B hyperfine structure constants for the 5s25p6sP1o1,3 states in Sn i

Abstract

Large-scale $\textit{ab initio}$ calculations of the electric field gradient, which constitutes the electronic contribution to the electric quadrupole hyperfine constant $B$, were performed for the $5s^25p6s$ $^{1,3}\!P^{\rm o}_1$ 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 $5s^25p6s$ $^{1}\!P^{\rm o}_1$ state, the final value of $B/Q =703(50)$ MHz/b differs by $0.4\%$ from the one recently used by Yordanov ${\it et~al.}$ [Communications Physics ${\bf 3}$, 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 $5s^25p6s\,^{1}\!P^{\rm o}_1$ state based on statistical principles and on correlation with the magnetic dipole hyperfine constant $A$.