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XATOM: an integrated toolkit for X-ray and atomic physics
Sang-Kil Son and Robin Santra
1st CFEL Symposium 2011
(CFEL, Sylt, Germany, March 18-20, 2011) [poster]
X-ray free-electron lasers (XFEL) open a new era in science and technology, offering many possibilities that have not been conceivable with conventional light sources. Because of their very high fluence within very short pulse duration, materials interacting with XFEL undergo significant radiation damage and possibly become highly ionized. To comprehend underlying physics, it is crucial to understand detailed ionization and relaxation dynamics in individual atoms during XFEL pulses. Here we present an integrated toolkit to investigate X-ray–induced atomic processes and to simulate electronic damage dynamics. This toolkit can easily handle all possible electronic configurations of all atom/ion species, and calculate physical observables during/after intense X-ray pulses. It has been successfully applied to study many XFEL-related phenomena from multiphoton ionization to molecular imaging.