Journal
PHYSICAL REVIEW A
Volume 76, Issue 4, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.76.042511
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Short and intense x-ray pulses may be used for atomic-resolution diffraction imaging of single biological molecules. One of the dominant damage mechanisms is atomic ionization, resulting in a large fraction of atoms with core holes. We calculated the atomic scattering factor of atoms with atomic charge numbers between 3 and 10 in different ionization states with and without a core hole. Our results show that orbital occupation and the change of the orbitals upon core ionization (core relaxation) have a significant impact on the diffraction pattern.
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