Abstract
A methodology is developed combining many-body-perturbation theory and close coupling of final-state channels with multiconfiguration Hartree-Fock theory to calculate photoionization cross sections of open-shell atoms with accurate threshold and resonance energies. Photoionization calculations of the ground state of atomic Sc, the first of the transition metals, are performed from threshold to 60 eV using this method. All single-electron transitions from and subshells are included. Over a broad region of energy, the cross section is dominated by the strength of the resonances which are split into nine distinct transitions through the angular momentum coupling with the open shells. The total cross section and the resonances are presented in detail and reasonably good agreement with available experiment, for both energies and cross section, is obtained. Classifications of a number of the resonances are proposed. In the low-energy region, good agreement with a previous R-matrix calculation is found.
- Received 5 November 1998
DOI:https://doi.org/10.1103/PhysRevA.59.3576
©1999 American Physical Society