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Abstract. 2014 Previous calculations of inner shell cross sections used in quantitative microanalysis have neglected transitions to discrete states that appear in spectra as white lines. White line are especially prominent in L23 edges from 1st and 2nd row transition elements and M45 edges in rare earth elements. These discrete features can make a substantial contribution to the integrated cross section, especially for small energy windows less than 50 eV In this paper we present results for 2p-3d transitions for 1st and 2nd row transition elements and 3d-4f transitions for rare earth elements, using Dirac Slater wave functions. The effects of different ionisation states are examined and the results compared to experiment.

Tables of X-ray and electron scattering factors are essential for programs that calculate diffraction intensities or simulate images. These tables are calculated from atomic charge densities derived from Hartree Fock programs for atoms. The most frequently used results are those due to Doyle and Turner who used Coulthard's relativistic Hartree Fock program. They did not calculate scattering factors for all elements and other results using different programs were used to complete the tables given in the International Tables for Crystallography. As microscopy and diffraction become more quantitative it has become important to reexamine the calculation of atomic scattering factors using more recent Hartree Fock codes to quantify more precisely differences due to solid state effects. We also feel it is desirable to calculate all naturally occuring elements, and their common ionised states, using the same program.The charge densities were calculated using the Multi-Configuration Dirac-Fock code of Grant et al.