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

Summary, in English

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.

• Författare: X. L. Guo; R. Si; S. Li; M. Huang; R. Hutton; Y. S. Wang; C. Y. Chen; Y. M. Zou; K. Wang; J. Yan; C. Y. Li; Tomas Brage
• Avdelning/ar: Matematisk fysik
• Publiceringsår: 2016
• Språk: Engelska
• Publikation/Tidskrift/Serie: Physical Review A (Atomic, Molecular and Optical Physics)
• Volym: 93
• Issue: 1
• Länkar: http://dx.doi.org/10.1103/PhysRevA.93.012513
• Dokumenttyp: Artikel i tidskrift
• Förlag: American Physical Society
• Ämne: Atom and Molecular Physics and Optics
• Status: Published
• ISBN/ISSN/Övrigt: ISSN: 1050-2947