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

2017 
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 3 s 2 { 3 l , 4 l , 5 l } , 3 p 2 { 3 d , 4 l } , 3 s { 3 p 2 , 3 d 2 } , 3 s { 3 p 3 d , 3 p 4 l , 3 p 5 s , 3 d 4 l ′ } , 3 p 3 d 2 , 3 p 3 and 3 d 3 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 E 1 , E 2 , M 1 and M 2 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 E 1 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 M 1 transition values are not sensitive to electron correlation and are believed to be accurate to well within 1%.
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