XATOM: An integrated toolkit for X-ray atomic physics



Diagrams of x-ray–atom interaction. P: photoionization, A: Auger (Coster-Kronig) decay, F: fluorescence, SO: shake-off, S: Rayleigh and Compton scattering and RS: resonant elastic x-ray scattering.
XATOM is an integrated toolkit for x-ray atomic physics. It provides a theoretical description of fundamental x-ray-atom interaction. In particular, XATOM is designed for describing complex interaction between atoms and intense XFEL pulses. XATOM calculates atomic data for all individual electronic configurations, including multiple-hole states, of arbitrary atomic species. These atomic data are used not only for simulating ionization dynamics of atoms within XATOM, but also as input for XMDYN simulations for complex systems. XATOM can calculate cross sections and rates of x-ray-induced atomic processes, based on nonrelativistic quantum electrodynamics and perturbation theory within the Hartree-Fock-Slater model. The released version of XATOM can treat the following physical processes. Short manual