Ab initio electronic factors of the A and B hyperfine structure constants for the 5s25p6s1,3P01 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

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskriftPeer review

Sammanfattning

Large-scale ab initio calculations of the electronic contribution to the electric quadrupole hyperfine constant B were performed for the 5s25p6s1,3Po1 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 5s25p6s 1Po1 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)] to extract the nuclear quadrupole moments Q for tin isotopes in the range 117−131Sn from collinear laser spectroscopy measurements. Efforts were made to provide a realistic theoretical uncertainty for the final B/Q value of the 5s25p6s 1Po1 state based on statistical principles and on correlation with the electronic contribution to the magnetic dipole hyperfine constant A.
Originalspråkengelska
Artikelnummer022815
Antal sidor16
TidskriftPhysical Review A
Volym103
Utgåva2
DOI
StatusPublished - 2021 feb 12

Ämnesklassifikation (UKÄ)

  • Atom- och molekylfysik och optik

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