Modeling Core-Hole Screening in Core-Excitation Spectroscopies
Eric L. Shirley, J A. Soininen, J J. Rehr
We consider screening of the core-hole potential experienced by the ejected electron in core-excitation processes. This potential affects near-edge structure strongly, but it appears difficult to consistently obtain reliable screened core-hole potentials without substantial computation. Screening effects have both atomic and solid-state (ormolecular/cluster) contributions. We emphasize aspects that must be true of correct screening models, in an attempt to circumvent the need to carry out full-scale random-phase approximation (RPA) or self-consistent-field calculations of the screening. We present and discuss three spectra computed with RPA and model screened potentials, suggesting ideas to be considered in future work of developing screening models.
core hole, model, RPA, screening, x-ray
, Soininen, J.
and Rehr, J.
Modeling Core-Hole Screening in Core-Excitation Spectroscopies, Physica Scripta
(Accessed February 29, 2024)