Breit–Pauli energy levels belonging to 2p~4, 2s2p~5, 2p~6, 2p3~3e configurations and all E1 transitions among these levels in Mg V

摘要

We present accurate oscillator strengths, line strengths and radiative rates for 1073 E1 transitions among the 86 levels belonging to 2s22p4, 2s2p5, 2p6, and 2s22p3(4So, 2Do, 2Po)3? configurations in Mg V. We have used 1s and 2s Hartree–Fock orbitals, re-optimized 2p on 2p3(2Do)3s 3Do and optimized 3s,3p,3d orbitals on real states. Sixteen additional orbitals up to 8d are optimized either as a correction to n = 3 physical orbitals or as a correlation orbital. A very large set of configurations including up to three electron promotions are used to account for all important correlation effects. All of the main five terms in the Breit–Pauli operator (except the orbit–orbit interaction) are included in order to account for the relativistic effects. Small adjustments to the diagonal elements of the Hamiltonian matrix are made to bring the calculated energies within a few cm?1 of the corresponding NIST recommended data wherever available. The calculated oscillator strengths, line strengths, and radiative rates for almost all of the E1 transitions show excellent agreement with the corresponding MCDF results of Fischer. The recent results of Bhatia et al. are found to be consistently higher by 20–45%. The accuracy of the present calculation is considered to be better than the NIST accuracy ratings for various transitions.