Electronic coherence in ultrafast x-ray scattering from molecular wave packets

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

Research output: Contribution to journalArticlepeer-review

Abstract

Simulations of non resonant 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 spatio-temporal structural dynamics of the molecule, is found to also carry a strong signature of a diabatic electrontransfer. The inelastic component,frequently assumed to be constant,is found to change with the geometry of the molecule. 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
Number of pages6
JournalPhysical Review Letters
Volume122
Issue number7
Early online date22 Feb 2019
DOIs
Publication statusPublished - 22 Feb 2019

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