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Título: | Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene |
Autor: | Crawford-Uranga, A. CSIC; Giovannini, Umberto de CSIC ORCID; Mowbray, Duncan J. CSIC ORCID; Kurth, S. CSIC ORCID; Rubio, Angel CSIC ORCID | Fecha de publicación: | 2014 | Editor: | Institute of Physics Publishing | Citación: | Journal of Physics B: Atomic, Molecular and Optical Physics 47(12): 124018 (2014) | Resumen: | 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. | Descripción: | arXiv:1403.5408 | Versión del editor: | http://dx.doi.org/10.1088/0953-4075/47/12/124018 | URI: | http://hdl.handle.net/10261/94543 | DOI: | 10.1088/0953-4075/47/12/124018 | ISSN: | 0953-4075 | E-ISSN: | 1361-6455 |
Aparece en las colecciones: | (CFM) Artículos |
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Modelling effect nuclear.pdf | 1,78 MB | Adobe PDF | Visualizar/Abrir |
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