Abstract
A theoretical investigation of photoabsorption and photoionization of Fe extending beyond an earlier frame transformation -matrix implementation is performed using a fully correlated, Breit-Pauli -matrix formulation including both fine-structure splitting of strongly bound resonances and radiation damping. The radiation damping of resonances gives rise to a resonant photoionization cross section that is significantly lower than the total photoabsorption cross section. Furthermore, the radiation-damped photoionization cross section is found to be in good agreement with recent experimental results once a global shift in energy of –3.5 eV is applied. These findings have important implications. First, the presently available synchrotron experimental data are applicable only to photoionization processes and not to photoabsorption; the latter is required in opacity calculations. Second, our computed cross section, for which the -shell ionization threshold is aligned with the NIST value, shows a series of Rydberg resonances that are uniformly 3–4 eV higher in energy than the corresponding experimental profiles, suggesting that the actual -shell threshold energy is lower than the value obtained using the current NIST data.
- Received 21 February 2012
DOI:https://doi.org/10.1103/PhysRevA.85.040701
©2012 American Physical Society