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Ab initio multiconfiguration Dirac-Hartree-Fock calculations of the in and Tl electron affinities and their isotope shifts

Si, Ran ; Schiffmann, Sacha LU ; Wang, Kai ; Chen, Chong Yang and Godefroid, Michel (2021) In Physical Review A 104(1).
Abstract

We report multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction calculations on the thallium (Tl) electron affinity, as well as on the excited energy levels arising from the ground configuration of Tl-. The results are compared with the available experimental values and further validated by extending the study to its homologous, lighter element, indium (In), belonging to group 13 (III.A) of the Periodic Table. The calculated electron affinities of In and Tl, 383.4 and 322.8 meV, agree with the latest measurements by within 1%. Three bound states 3P0,1,2 are confirmed in the 5s25p2 configuration of In-, while only the ground state 3P0 is bound in the 6s26p2 configuration of Tl-. The isotope shifts on the In and... (More)

We report multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction calculations on the thallium (Tl) electron affinity, as well as on the excited energy levels arising from the ground configuration of Tl-. The results are compared with the available experimental values and further validated by extending the study to its homologous, lighter element, indium (In), belonging to group 13 (III.A) of the Periodic Table. The calculated electron affinities of In and Tl, 383.4 and 322.8 meV, agree with the latest measurements by within 1%. Three bound states 3P0,1,2 are confirmed in the 5s25p2 configuration of In-, while only the ground state 3P0 is bound in the 6s26p2 configuration of Tl-. The isotope shifts on the In and Tl electron affinities are also estimated. The E2 and M1 intraconfiguration radiative transition rates within 5s25p2 3P0,1,2 of In- are used to calculate the radiative lifetimes of the metastable 3P1,2 levels.

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author
; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review A
volume
104
issue
1
article number
012802
publisher
American Physical Society
external identifiers
  • scopus:85110065718
ISSN
2469-9926
DOI
10.1103/PhysRevA.104.012802
language
English
LU publication?
yes
additional info
Publisher Copyright: © 2021 American Physical Society.
id
224cb2ba-bfc3-4b58-b282-68d4614b42fe
date added to LUP
2022-03-03 08:05:10
date last changed
2022-04-18 22:43:44
@article{224cb2ba-bfc3-4b58-b282-68d4614b42fe,
  abstract     = {{<p>We report multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction calculations on the thallium (Tl) electron affinity, as well as on the excited energy levels arising from the ground configuration of Tl-. The results are compared with the available experimental values and further validated by extending the study to its homologous, lighter element, indium (In), belonging to group 13 (III.A) of the Periodic Table. The calculated electron affinities of In and Tl, 383.4 and 322.8 meV, agree with the latest measurements by within 1%. Three bound states 3P0,1,2 are confirmed in the 5s25p2 configuration of In-, while only the ground state 3P0 is bound in the 6s26p2 configuration of Tl-. The isotope shifts on the In and Tl electron affinities are also estimated. The E2 and M1 intraconfiguration radiative transition rates within 5s25p2 3P0,1,2 of In- are used to calculate the radiative lifetimes of the metastable 3P1,2 levels.</p>}},
  author       = {{Si, Ran and Schiffmann, Sacha and Wang, Kai and Chen, Chong Yang and Godefroid, Michel}},
  issn         = {{2469-9926}},
  language     = {{eng}},
  month        = {{07}},
  number       = {{1}},
  publisher    = {{American Physical Society}},
  series       = {{Physical Review A}},
  title        = {{Ab initio multiconfiguration Dirac-Hartree-Fock calculations of the in and Tl electron affinities and their isotope shifts}},
  url          = {{http://dx.doi.org/10.1103/PhysRevA.104.012802}},
  doi          = {{10.1103/PhysRevA.104.012802}},
  volume       = {{104}},
  year         = {{2021}},
}