Large-scale calculations of atomic level and transition properties in the aluminum isoelectronic sequence from Ti X through Kr XXIV, Xe XLII, and W LXII

Abstract

Large-scale self-consistent multiconfiguration Dirac–Hartree–Fock subsequent relativistic configuration interaction (RCI) calculations are reported for 360 states belonging to the 30 configurations 3s2{3l,4l,5l}, 3p2{3d,4l}, 3s{3p2,3d2}, 3s{3p3d,3p4l,3p5s,3d4l′}, 3p3d2, 3p3 and 3d3 with l=0,1,…,n−1 and l′=0,1,2 in 17 systems of the aluminum-like isoelectronic sequence: Ti X through Kr XXIV, Xe XLII, and W LXII. Effects from electron correlation are taken into account by means of large expansions in terms of a basis of configuration state functions (CSF) and calculated energy levels are compared with existing theoretical calculations and the NIST Atomic Spectra database. Radiative E1, E2, M1 and M2 transition rates and associated lifetimes of energy levels are presented in online tables. The uncertainties of the calculated energies are very small, on average between 0.02% and 0.05%, which aid new line identifications in laboratory and astronomical spectra and also make it possible to find and rule out misidentifications. The uncertainties of the E1 transition probabilities, based on the agreement between values in the length and velocity gauges, are estimated to be of the order 0.5% for the strong transitions and 25% for the weaker intercombination transitions. The M1 transition values are not sensitive to electron correlation and are believed to be accurate to well within 1%.