MCDHF and RCI calculations of energy levels, lifetimes and transition rates for3l3l′,3l4l′, and3s5lstates in Ca IX – As XXII and Kr XXV

Abstract

Multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations and relativistic configuration interaction (RCI) calculations were performed for states of the 3l3l , 3l4l and 3s5l configurations in the Mg-like ions Ca IX -As XXII and Kr XXV. Valence and core-valence electron correlation effects are accounted for through large configuration state function expansions. Calculated excitation energies are in very good agreement with observations for the lowest levels. For higher lying levels observations are often missing and present energies aid line identification in spectra. Lifetimes and transition data are given for all ions. There is an excellent agreement for both lifetimes and transition data with recent multiconfiguration Hartree-Fock Breit Pauli calculations.

Extended calculations of energy levels, radiative properties, A, B hyperfine interaction constants, and Landé g -factors for oxygen-like Kr XXIX

“…To provide the LS J labeling system used by the experimentalists, as well as used in other sources, such as the NIST and CHIANTI databases, the ASFs are transformed from a jj-coupled CSF basis into a LS J-coupled CSF basis using the method provided by Gaigalas et al [43,44] The computed excitation energies for all the 344 levels of the 2s 2 2p 4 , 2s2p 5 , 2p 6 , 2s 2 2p 3 3s, 2s 2 2p 3 3p, 2s 2 2p 3 3d, 2s2p 4 3s, 2s2p 4 3p, 2s2p 4 3d, 2p 5 3s, 2p 5 3p, 2p 5 3d, 2s 2 2p 3 4s, 2s 2 2p 3 4p, 2s 2 2p 3 4d, 2s 2 2p 3 4f, and 2s2p 4 4s configurations from our MCDF and MBPT calculations are listed in Table 1, along with the LS J coupling expansion coefficients obtained from our MCDF calculations.…”

“…The MCDF excitation energies of the lowest 10 levels belonging tothe 2s 2 2p 4 , 2s2p 5 , and 2p 6 configurations are listed in Table 2 as a function of increasing AS. Inspection of Table 2 shows that excitation energies converge quite fast with increasing AS.…”

“…Previously, for highly ionized Kr, few, if any, atomic data were available. In response to this, we have reported full sets of consistent and highly accurate energies and transition parameters for Kr XXV [4,5], Kr XXVII [6], and Kr XXX [7], and this work continues our efforts for Olike Kr XXIX.…”

“…Unfortunately, theoretical data for Kr XXIX are scarce. Using various methods, some studies of energy and transition data limited to the 2s 2 2p 4 , 2s2p 5 , and 2p 6 configurations were carried out [15][16][17][18][19]. It is clear that atomic data involving the n = 3, 4 levels are also important because of their wide applications in fusion science [10,13].…”

“…The objective of the present study is to provide highly accurate spectroscopic data including energy levels, wavelengths, lifetimes, hyperfine interaction constants, Landé g J -factors, as well as E1, M1, E2, and M2 transition rates, line strengths, and oscillator strengths among the lowest 344 levels belonging to the 2s 2 2p 4 , 2s2p 5 , 2p 6 , 2s 2 2p 3 3s, 2s 2 2p 3 3p, 2s 2 2p 3 3d, 2s2p 4 3s, 2s2p 4 3p, 2s2p 4 3d, 2p 5 3s, 2p 5 3p, 2p 5 3d, 2s 2 2p 3 4s, 2s 2 2p 3 4p, 2s 2 2p 3 4d, 2s 2 2p 3 4f, and 2s2p 4 4s configurations for O-like Kr XXIX. Calculations are performed using the MCDF method [24] implemented in the GRASP2K code [25,26].…”