High-accuracy reconstruction of titanium x-ray emission spectra, including relative intensities, asymmetry and satellites, and ab initio determination of shake magnitudes for transition metals

High resolution x-ray spectroscopy has revealed a complex structure in the spectrum of core-ionized elements. To date, theoretical reproductions must be fitted to experimental results using fitting parameters to account for transition widths, energy corrections, spectator intensities and spectator broadening-up to 12 or more parameters depending on complexity. We provide here the first accurate reconstruction of the K alpha spectra in titanium using only instrumental broadening widths as free parameters. We also determine structural systematics in observed shake processes in transition metals for the first time.