Wavelengths of 2l→3l′ Transitions in L‐Shell Ions of Iron and Nickel: A Combined Configuration Interaction and Many‐Body Perturbation Theory Approach

Abstract

Using a combined configuration interaction and many-body perturbation theory approach, we calculate the level energies of 1s22lq and 1s22lq-13l' (1 ≤ q ≤ 8) complexes in iron and nickel ions. Comparison of 1s22lq energies with experimental results shows that the calculation is accurate to within ~0.15 eV for these levels. The accuracy of 1s22lq-13l' energies can be slightly worse, at ~0.5 eV. The theoretical wavelengths of 2→3 transitions of iron ions are compared with the published experimental measurements, and discrepancies are found to be mostly within ±10 mA. Similar accuracy is expected for wavelengths of nickel ions. Such accuracy is a significant improvement over that obtainable with standard configuration interaction methods. A complete table of 2l → 3l' transition wavelengths of all L-shell ions of iron and nickel is presented.