density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1
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Showing 2025 · physics.chem-phShow all
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physics.chem-ph2025★ 4 cited
Shake-down spectroscopy as state- and site-specific probe of ultrafast chemical dynamics
Henry J. Thompson, Matteo Bonanomi, Jacob Pedersen +27
Tracking the multifarious ultrafast electronic and structural changes occurring in a molecule during a photochemical transformation is a challenging endeavor that benefits from rec…
physics.chem-ph2025★ 10 cited
Unraveling the relaxation dynamics of Uracil: insights from time-resolved X-ray photoelectron spectroscopy
Davide Faccialà, Matteo Bonanomi, Bruno Nunes Cabral Tenorio +26
We report a study of the electronic and nuclear relaxation dynamics of the photoexcited RNA base uracil in the gas phase, using time-resolved core level photoelectron spectroscopy…