Calculation of wavelengths and oscillator strengths for the magnesium isoelectronic sequence from I⁴¹⁺to Ce⁴⁶⁺

Abstract

The multiconfiguration Dirac–Fock method is used to systematically calculate the energy levels, wavelengths and oscillator strengths for transitions among the levels of the terms belonging to the 3s2, 3s3p, 3s3d, 3s4s, 3s4p, 3s4d, 3p2, 3p3d, 3p4s, 3p4p, 3p4d, 3d4s, 3d4p, 3d4d and 3d2 configurations for the elements of the magnesium isoelectronic sequence from high nuclear charge Z = 53 to 58 by taking into account main correlation relativistic effects. Another wavelength region λ = 6–11 Å from n = 3–4 transitions and the corresponding oscillator strengths are for the first time extensively reported. The trends of wavelengths and oscillator strengths along the isoelectronic sequence are discussed. Many strong configuration mixings and level-crossings in particular between the two states 3p3d 3F30 and 3p3d 3D30 in Mg-like La and Ce ions are investigated.

Resonance and intercombination lines in Mg-like ions of atomic numbersZ=13–92

“…[32][33][34][35][36][37][38][39][40][41][42][43][44][45]) have been applied, but not many have involved the treatment of ions of Z 42 (Mo). Figures 1 and 2 show the isoelectronic trends of some of the calculations in comparison to our own MR-MP approach (which is explained in the next section).…”

“…However, their results progressively deviate from the experimental trend at mid Z, and at high Z, their mismatch exceeds that of the computations by Marques et al [36] Various other computations (not depicted in our figures) scatter in the same wide range as the ones selected for display in our figures. For example, Wang et al [43,44] apply multiconfiguration Dirac-Fock (MCDF) calculations to six Mg-like ion species with Z in the range from 53 to 62. Their 3s3p triplet level results (given for three ion species only) are less than 900 cm −1 away from experiment and thus among the better ones, but their singlet level results deviate from experiment by more than 5000 cm −1 and thus are poorer than, for example, the results obtained by Marques et al [36] some 13 years earlier.…”

Relativistic configuration interaction calculations on the Kα x-ray spectra of sulfur

“…The relativistic and configuration-interaction effects play an important role in the correct assignment of different transitions and also in the accurate evaluation of atomic transition data of highly ionized atoms [22][23][24][25][26]. In this paper, the transition wavelengths, transition rates and oscillator strengths have been computed in the framework of relativistic configuration interaction (RCI) formalism using MCDF wavefunctions with the extended optimal level (EOL) scheme, the configuration interaction calculations include Breit interaction, quantum electrodynamics (QED) and nuclear mass corrections.…”