ArticleJournal of chemical theory and computation2024
Time-Dependent Resonant Inelastic X-ray Scattering of Pyrazine at the Nitrogen K-Edge: A Quantum Dynamics Approach.
Article in Journal of chemical theory and computation, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Ultrafast RIXS of orbital-resolved valence-band reshaping in photoexcited graphite.Science advances · 2026Article
- Attosecond Momentum-Resolved Resonant Inelastic X-ray Scattering for Imaging Coupled Electron-Hole Dynamics.The journal of physical chemistry letters · 2026Article
- Ultrafast dynamics in core-excited states probed by resonant Auger spectroscopy: pyrrole.Chemical science · 2026Article
- Ultrafast dynamics of vibronically dressed core excitons in graphite: a femtosecond RIXS perspective.Nature communications · 2025Article
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Authors and funding
4 authors.
Funding
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Abstract
We calculate resonant inelastic X-ray scattering spectra of pyrazine at the nitrogen K-edge in the time domain including wavepacket dynamics in both the valence and core-excited state manifolds. Upon resonant excitation, we observe ultrafast non-adiabatic population transfer between core-excited states within the core-hole lifetime, leading to molecular symmetry distortions. Importantly, our time-domain approach inherently contains the ability to manipulate the dynamics of this process by detuning the excitation energy, which effectively shortens the scattering duration. We also explore the impact of pulsed incident X-ray radiation, which provides a foundation for state-of-the-art time-resolved experiments with coherent pulsed light sources.
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