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Benchmarking calculations with spectroscopic accuracy of level energies and wavelengths in W LVII–W LXII tungsten ions

Zhang, C. Y. (author)
Fudan University, China
Wang, K. (author)
Hebei University, China
Si, R. (author)
Fudan University, China
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Godefroid, M. (author)
Université libre de Bruxelles, Belgium
Jönsson, Per (author)
Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)
Xiao, J. (author)
Fudan University, China
Gu, M. F. (author)
University of California, USA
Chen, C. Y. (author)
Fudan University, China
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 (creator_code:org_t)
Elsevier, 2021
2021
English.
In: Journal of Quantitative Spectroscopy and Radiative Transfer. - : Elsevier. - 0022-4073 .- 1879-1352. ; 269
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • Atomic properties of n=3 states of the W56+ - W61+ ions are systematically investigated through two state-of-the-art methods, namely, the second-order many-body perturbation theory, and the multi-configuration Dirac–Hartree–Fock method combined with the relativistic configuration interaction approach. The contributions of valence-valence and core-valence electron correlations, the Breit interaction, the higher-order retardation correction beyond the Breit interaction through the transverse photon interaction, and the quantum electrodynamical corrections to the excitation energies are studied in detail. The excitation energies and wavelengths obtained with the two methods agree with each other within ≈0.01%. The present results achieve spectroscopic accuracy and provide a benchmark test for various applications and other theoretical calculations of W56+ - W61+ ions. They will assist spectroscopists in their assignment and direct identification of observed lines in complex spectra.

Subject headings

NATURVETENSKAP  -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)

Keyword

Excitation energies
Highly charged tungsten ions
Multi-configuration Dirac–Hartree–Fock method
Second-order many-body perturbation theory
Wavelengths
Excited states
Metal ions
Molecular physics
Perturbation techniques
Quantum chemistry
Quantum theory
Tungsten
Atomic properties
Breit interaction
Energy
Highly charged tungsten ion
Second orders
State-of-the-art methods
Tungsten ions
Two-state
Benchmarking
accuracy assessment
electron
ion
spectroscopy
wavelength

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ref (subject category)
art (subject category)

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