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Atoms 2016, 4(2), 13;

Multi-Configuration Dirac–Hartree–Fock (MCDHF) Calculations for B-Like Ions

Department of Physics and Astrophysics, University of Delhi, Delhi 110007, India
Department of Physics, D.D.U. College, University of Delhi, Delhi 110015, India
Author to whom correspondence should be addressed.
Academic Editor: James F. Babb
Received: 9 December 2015 / Revised: 1 April 2016 / Accepted: 5 April 2016 / Published: 6 May 2016
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Relativistic configuration interaction results are presented for several B-like ions (Ge XXVIII, Rb XXXIII, Sr XXXIV, Ru XL, Sn XLVI, and Ba LII) using the multi-configuration Dirac–Hartree–Fock (MCDHF) method. The calculations are carried out in the active space approximation with the inclusion of the Breit interaction, the finite nuclear size effect, and quantum electrodynamic corrections. Results for fine structure energy levels for 1s22s22p and 2s2p2 configurations relative to the ground state are reported. The transition wavelengths, transition probabilities, line strengths, and absorption oscillator strengths for 2s22p–2s2p2 electric dipole (E1) transitions are calculated. Both valence and core-valence correlation effects were accounted for through single-double multireference (SD-MR) expansions to increasing sets of active orbitals. Comparisons are made with the available data and good agreement is achieved. The values calculated using core–valence correlation are found to be very close to other theoretical and experimental values. The behavior of oscillator strengths as a function of nuclear charge is studied. We believe that our results can guide experimentalists in identifying the fine-structure levels in their future work. View Full-Text
Keywords: oscillator strength; radiative data; correlation; active set oscillator strength; radiative data; correlation; active set

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Khatri, I.; Goyal, A.; Singh, A.K.; Mohan, M. Multi-Configuration Dirac–Hartree–Fock (MCDHF) Calculations for B-Like Ions. Atoms 2016, 4, 13.

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