Photoionization of the potassium isoelectronic sequence: Ca + and transition metal ions (original) (raw)

Photoionization cross section calculations are performed for the ground ([Ne]3s 2 3p 6 3d 2 D e 2 / 3 ) and the first two excited ([Ne]3s 2 3p 6 3d 2 D e 2 / 5 and [Ne]3s 2 3p 6 4s 2 S e 2 / 1 ) states of potassium-like transition metal ions (Sc +2 , Ti +3 , V +4 , Cr +5 , Mn +6 , Fe +7 ), along with photoionization calculations for K-like Ca + ions in the ground ([Ne]3s 2 3p 6 4s 2 S e 2 / 1 ) state and the first two excited ([Ne]3s 2 3p 6 3d 2 D e 2 / 3 and [Ne]3s 2 3p 6 3d 2 D e 2 / 5 ) states. The discrete N-electron final state ion system orbitals are generated using the computer program AUTOSTRUCTURE; 24 configurations are included in the configurationinteraction (CI) calculation for transition metal ions, and 30 configurations for the case of Ca + ions. The initial and final (N+1)-electron wavefunctions are generated using Rmatrix along with photoionization cross sections. In addition to the non-relativistic (LScoupling) R-matrix, we have used the relativistic (Breit-Pauli) R...