Detailed tabulation of atomic form factors, photoelectric absorption and scattering cross section, and mass attenuation coefficients in the vicinity of absorption edges in the soft X-ray (Z=30-36, Z=60-89, E=0.1 keV-10 keV),addressing convergence issues of earlier work

Reliable knowledge of the complex x-ray form factor [Re(f) and f "] and the photoelectric attenuation coefficient (sigma (PE)) is required for crystal lography, medical diagnosis, radiation safety, and XAFS studies. Discrepanc ies between currently used theoretical approaches of 200% exist for numerou s elements from 1 to 3 keV x-ray energies. The key discrepancies are due to the smoothing of edge structure, the use of nonrelativistic wave functions , and the lack of appropriate convergence of wave functions. This paper add resses these key discrepancies and derives new theoretical results of subst antially higher. accuracy in near-edge soft x-ray regions. The high-energy limitations of the current approach are also illustrated. The energy range covered is 0.1 to 10 keV. The associated figures and tabulation demonstrate the current comparison with alternate theory and with available experiment al data. In general, experimental data are not sufficiently accurate to est ablish the errors and inadequacies of theory at this level. However, the be st experimental data and the observed experimental structure as a function of energy are strong indicators of the validity of the current approach. Ne w developments in experimental measurement hold great promise in making cri tical comparisons with theory in the near future. (C) 2001 American Institu te of Physics.