TY - JOUR

T1 - Ab initio electronic factors of the A and B hyperfine structure constants for the 5s25p6s P1o 1,3 states in Sn i

AU - Papoulia, Asimina

AU - Schiffmann, Sacha

AU - Bieroń, Jacek

AU - Gaigalas, Gediminas

AU - Godefroid, Michel

AU - Harman, Zoltán

AU - Jönsson, Per

AU - Oreshkina, Natalia S.

AU - Pyykkö, Pekka

AU - Tupitsyn, Ilya I.

N1 - Publisher Copyright:
© 2021 American Physical Society.
Copyright:
Copyright 2021 Elsevier B.V., All rights reserved.

PY - 2021/2

Y1 - 2021/2

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85101781130&partnerID=8YFLogxK

U2 - 10.1103/PhysRevA.103.022815

DO - 10.1103/PhysRevA.103.022815

M3 - Article

AN - SCOPUS:85101781130

VL - 103

JO - Physical Review A - Atomic, Molecular, and Optical Physics

JF - Physical Review A - Atomic, Molecular, and Optical Physics

SN - 1050-2947

IS - 2

M1 - 022815

ER -