Abstract
Using time-dependent density functional theory we examine the energy, angular and time-resolved photoelectron spectra (TRPES) of ethylene in a pump–probe setup. To simulate TRPES we expose ethylene to an ultraviolet femtosecond pump pulse, followed by a time delayed extreme ultraviolet probe pulse. Studying the photoemission spectra as a function of this delay provides us direct access to the dynamic evolution of the molecule’s electronic levels. Further, by including the nuclei’s motion, we provide direct chemical insight into the chemical reactivity of ethylene. These results show how angular and energy resolved TRPES could be used to directly probe electron and nucleus dynamics in molecules.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Journal of Physics B: Atomic, Molecular and Optical Physics
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
