Spin-polarized relativistic calculations on highly ionized molybdenum

The energies of K, X-ray satellite lines of molybdenum ionized to different degrees in the L shell with closed and open outer shells (n=3, 4 and 5) are reported in this work. The calculations have been carried out using Xalpha method with spin-polarized single configuration relativistic Dirac-Fock wavefunctions. Calculations have also been carried out with un-polarized relativistic wavefunctions. The effect of relativistic spin exchange potential on the total energies of the various states ionized to different degrees in the inner and outer shells are analyzed. As the transition assignments in the spin-polarized treatment of atomic orbitals take into account the spin orientations of the electrons in the initial and final states, the present calculations elucidate the significance of this technique in giving unique spin-dependent transition assignments to experimental energies. (C) 2003 Elsevier Ltd. All rights reserved.