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Calculations with spectroscopic accuracy for the ground configuration (3d(9)) forbidden transition in Co-like ions

Guo, X. L. ; Si, R. ; Li, S. ; Huang, M. ; Hutton, R. ; Wang, Y. S. ; Chen, C. Y. ; Zou, Y. M. ; Wang, K. and Yan, J. , et al. (2016) In Physical Review A (Atomic, Molecular and Optical Physics) 93(1).
Abstract
We present systematic and large-scale calculations for the fine-structure energy splitting and transition rate between the 3d(9) D-2(3/2,5/2) levels of Co-like ions with 28 <= Z <= 100. Two different fully relativistic approaches are used, based on the multiconfiguration Dirac-Hartree-Fock (MCDHF) theory and the relativistic many-body-perturbation theory (RMBPT). Especially the former gives results of similar accuracy as experiments for a large range of ions. Our calculations are therefore accurate enough to probe Breit and quantum-electro-dynamic effects. To obtain spectroscopic accuracy, we show that it is important to include deep core-valence correlation, down to and including the n = 2 shell. We estimate that the uncertainties... (More)
We present systematic and large-scale calculations for the fine-structure energy splitting and transition rate between the 3d(9) D-2(3/2,5/2) levels of Co-like ions with 28 <= Z <= 100. Two different fully relativistic approaches are used, based on the multiconfiguration Dirac-Hartree-Fock (MCDHF) theory and the relativistic many-body-perturbation theory (RMBPT). Especially the former gives results of similar accuracy as experiments for a large range of ions. Our calculations are therefore accurate enough to probe Breit and quantum-electro-dynamic effects. To obtain spectroscopic accuracy, we show that it is important to include deep core-valence correlation, down to and including the n = 2 shell. We estimate that the uncertainties of our wavelengths are within the uncertainty of experiments, i.e., 0.02%. We also show that the frequently used flexible atomic code has an inaccurate treatment of the self-energy (SE) contribution and of the M1-transition properties for lower-Z ions. After correcting for the SE calculation, the resulting RMBPT transition energies are in good agreement with the MCDHF ones, especially for the high-Z end of the Co-like sequence. (Less)
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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review A (Atomic, Molecular and Optical Physics)
volume
93
issue
1
article number
012513
publisher
American Physical Society
external identifiers
  • wos:000368473700006
  • scopus:84955592983
ISSN
1050-2947
DOI
10.1103/PhysRevA.93.012513
language
English
LU publication?
yes
id
25eb57b5-fd1a-4d8d-bf99-01007da040cf (old id 8731974)
date added to LUP
2016-04-01 10:57:11
date last changed
2022-03-27 20:59:44
@article{25eb57b5-fd1a-4d8d-bf99-01007da040cf,
  abstract     = {{We present systematic and large-scale calculations for the fine-structure energy splitting and transition rate between the 3d(9) D-2(3/2,5/2) levels of Co-like ions with 28 &lt;= Z &lt;= 100. Two different fully relativistic approaches are used, based on the multiconfiguration Dirac-Hartree-Fock (MCDHF) theory and the relativistic many-body-perturbation theory (RMBPT). Especially the former gives results of similar accuracy as experiments for a large range of ions. Our calculations are therefore accurate enough to probe Breit and quantum-electro-dynamic effects. To obtain spectroscopic accuracy, we show that it is important to include deep core-valence correlation, down to and including the n = 2 shell. We estimate that the uncertainties of our wavelengths are within the uncertainty of experiments, i.e., 0.02%. We also show that the frequently used flexible atomic code has an inaccurate treatment of the self-energy (SE) contribution and of the M1-transition properties for lower-Z ions. After correcting for the SE calculation, the resulting RMBPT transition energies are in good agreement with the MCDHF ones, especially for the high-Z end of the Co-like sequence.}},
  author       = {{Guo, X. L. and Si, R. and Li, S. and Huang, M. and Hutton, R. and Wang, Y. S. and Chen, C. Y. and Zou, Y. M. and Wang, K. and Yan, J. and Li, C. Y. and Brage, Tomas}},
  issn         = {{1050-2947}},
  language     = {{eng}},
  number       = {{1}},
  publisher    = {{American Physical Society}},
  series       = {{Physical Review A (Atomic, Molecular and Optical Physics)}},
  title        = {{Calculations with spectroscopic accuracy for the ground configuration (3d(9)) forbidden transition in Co-like ions}},
  url          = {{http://dx.doi.org/10.1103/PhysRevA.93.012513}},
  doi          = {{10.1103/PhysRevA.93.012513}},
  volume       = {{93}},
  year         = {{2016}},
}