Atomic form factors and photoelectric absorption cross-sections near absorption edges in the soft X-ray region

Abstract

Reliable knowledge of the complex X‐ray form factor [Re(f) and Im(f)] and the photoelectric attenuation coefficient (σPE) is required for crystallography, medical diagnosis, radiation safety and XAFS studies. Key discrepancies in earlier theoretical work are due to the smoothing of edge structure, the use of non‐relativistic wave functions, and the lack of appropriate convergence of wave functions. These discrepancies lead to significant corrections for most comprehensive (i.e. all‐Z) tabulations. This work has led to a major comprehensive database tabulation [Chantler, C. T. (2000). J. Phys. Chem. Ref. Data, 29, 597–1048] which serves as a sequel and companion to earlier relativistic Dirac‐..