Electronic Coherence in Ultrafast X-Ray Scattering from Molecular Wave Packets

Mats Simmermacher, Niels E. Henriksen, Klaus B. Møller*, Andrés Moreno Carrascosa, Adam Kirrander

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

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Simulations of nonresonant ultrafast x-ray scattering from a molecular wave packet in H2 are used to examine and classify the components that contribute to the total scattering signal. The elastic component, which can be used to determine the structural dynamics of the molecule, is also found to carry a strong signature of an adiabatic electron transfer that occurs in the simulated molecule. The inelastic component, frequently assumed to be constant, is found to change with the geometry of the molecule. Finally, a coherent mixed component due to interferences between different inelastic transitions is identified and shown to provide a direct probe of transient electronic coherences.

Original languageEnglish
Article number073003
JournalPhysical Review Letters
Issue number7
Number of pages6
Publication statusPublished - 2019

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