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

Papoulia, Asimina LU orcid ; Schiffmann, Sacha LU ; Bieroń, Jacek ; Gaigalas, Gediminas LU ; Godefroid, Michel ; Harman, Zoltán ; Jönsson, Per LU ; Oreshkina, Natalia S. ; Pyykkö, Pekka and Tupitsyn, Ilya I. (2021) In Physical Review A 103(2).
Abstract
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... (More)
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. (Less)
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author
; ; ; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Atomic & molecular structure, Electron correlation calculations for atoms & ions, Fine & hyperfine structure
in
Physical Review A
volume
103
issue
2
article number
022815
pages
16 pages
publisher
American Physical Society
external identifiers
  • scopus:85101781130
ISSN
2469-9926
DOI
10.1103/PhysRevA.103.022815
language
English
LU publication?
yes
id
888568c2-6537-46bd-9123-41f2bac56326
date added to LUP
2021-03-30 17:01:18
date last changed
2024-12-15 04:53:25
@article{888568c2-6537-46bd-9123-41f2bac56326,
  abstract     = {{Large-scale <i>ab initio</i> calculations of the electronic contribution to the electric quadrupole hyperfine constant <i>B</i> were performed for the 5<i>s</i><sup>2</sup>5<i>p</i>6<i>s</i><sup>1,3</sup><i>P</i><sup>o</sup><sub>1 </sub>excited states of neutral tin. To probe the sensitivity of <i>B</i> 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 5<i>s</i><sup>2</sup>5<i>p</i>6<i>s </i><sup>1</sup><i>P</i><sup>o</sup><sub>1</sub> state, the final value of <i>B</i>/<i>Q</i>=703(50) MHz/b differs by 0.4% from the one recently used by Yordanov <i>et al. </i>[Commun. Phys. 3, 107 (2020)] to extract the nuclear quadrupole moments <i>Q </i>for tin isotopes in the range <sup>117−131</sup>Sn from collinear laser spectroscopy measurements. Efforts were made to provide a realistic theoretical uncertainty for the final <i>B</i>/<i>Q </i>value of the 5<i>s</i><sup>2</sup>5<i>p</i>6<i>s </i><sup>1</sup><i>P</i><sup>o</sup><sub>1 </sub>state based on statistical principles and on correlation with the electronic contribution to the magnetic dipole hyperfine constant <i>A</i>.}},
  author       = {{Papoulia, Asimina and Schiffmann, Sacha and Bieroń, Jacek and Gaigalas, Gediminas and Godefroid, Michel and Harman, Zoltán and Jönsson, Per and Oreshkina, Natalia S. and Pyykkö, Pekka and Tupitsyn, Ilya I.}},
  issn         = {{2469-9926}},
  keywords     = {{Atomic & molecular structure; Electron correlation calculations for atoms & ions; Fine & hyperfine structure}},
  language     = {{eng}},
  month        = {{02}},
  number       = {{2}},
  publisher    = {{American Physical Society}},
  series       = {{Physical Review A}},
  title        = {{<i>Ab initio</i> electronic factors of the A and B hyperfine structure constants for the              5<i>s</i><sup>2</sup>5<i>p</i>6<i>s</i><sup>1,3</sup><i>P</i><sup>0</sup><sub>1</sub> states in Sn I}},
  url          = {{http://dx.doi.org/10.1103/PhysRevA.103.022815}},
  doi          = {{10.1103/PhysRevA.103.022815}},
  volume       = {{103}},
  year         = {{2021}},
}