Research output: Contribution to journal › Article › peer-review
Ab initio electronic factors of the A and B hyperfine structure constants for the 5s25p6s P1o 1,3 states in Sn i. / Papoulia, Asimina; Schiffmann, Sacha; Bieroń, Jacek; Gaigalas, Gediminas; Godefroid, Michel; Harman, Zoltán; Jönsson, Per; Oreshkina, Natalia S.; Pyykkö, Pekka; Tupitsyn, Ilya I.
In: Physical Review A, Vol. 103, No. 2, 022815, 12.02.2021.Research output: Contribution to journal › Article › peer-review
}
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 - 2021/2/12
Y1 - 2021/2/12
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
UR - https://www.mendeley.com/catalogue/7cd517c5-8aae-3c0f-88f1-ff9a0b254441/
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 -
ID: 77053805