Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene
arXiv:1403.5408 · doi:10.1088/0953-4075/47/12/124018
Abstract
Using time dependent density functional theory (TDDFT) 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 (UV) femtosecond pump pulse, followed by a time delayed extreme ultraviolet (XUV) 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.
9 pages, 6 figures
References in corpus (6)
- Theoretical description of time-resolved photoemission spectroscopy: application to pump-probe experiments
- Nonsequential two-photon double ionization of helium
- Tracking Cooper Pairs in a Cuprate Superconductor by Ultrafast Angle-Resolved Photoemission
- Efficient formalism for large scale ab initio molecular dynamics based on time-dependent density functional theory
- Simulating pump-probe photo-electron and absorption spectroscopy on the attosecond time-scale with time-dependent density-functional theory
- Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory