Calculations with spectroscopic accuracy: Energies and transition parameters for lines of fusion interest in Mo XXXIX

Abstract

We have performed high-accuracy calculations of energy levels, wavelengths, lifetimes, line strengths and radiative rates among the 250 lowest levels of the (1s2)2s2, (1s2)2s2p, (1s2)2p2, (1s2)2snl (n=3,4,5,6; l=0,1,2,3,4,5), and (1s2)2pnl (n=3,4,5,6; l=0,1,2,3,4,5) configurations of Mo XXXIX. The second-order relativistic many-body perturbation theory (MBPT) is adopted and data are provided for all electric/magnetic-dipole (E1/M1) and electric/magnetic-quadrupole (E2/M2) transitions. Similar data for the 98 lowest levels of the n ≤ 4 configurations are also determined using fully relativistic multi-configuration Dirac-Fock (MCDF) wave functions in the active space approximation with the inclusion of a finite nuclear size, the Breit interaction, self-energy, and vacuum polarization to assess the accuracy of the calculations. Based on direct comparisons between the results obtained from these two independent methods, MBPT and MCDF, as well as with the other available theoretical values and measurements, our energies are assessed to be accurate to better than 0.02%. The accuracy for strong radiative rates is estimated to be about 5%. For Mo XXXIX, only a few transition lines have been established experimentally. The present new results considerably expand the existing data sets for this ion, and should be beneficial in analysis of experimental spectra and useful for spectroscopic diagnostics and modeling of hot plasmas, in particular in fusion devices.