Excitation of vibrational modes in the ionization of water molecule by XUV/X-ray radiation
EntityUAM. Departamento de Química
PublisherInstitute of Physics Publishing
10.1088/1742-6596/635/11/112098Journal of Physics: Conference Series 635.11 (2015): 112098
ISSN1742-6588 (Print); 1742-6596 (Online)
SubjectsIonization; Nuclear motions; Photon energy; Polyatomic molecules; Química
Rights© Published under licence by IOP Publishing Ltd.
Esta obra está bajo una Licencia Creative Commons Atribución 4.0 Internacional.
We present a theoretical study of the vibrationally resolved core photoionization of the water molecule up to high photon energies. In order to understand the role of the coupled electron-nuclear motion in polyatomic molecules, we thus have implemented a new methodology to describe all vibrational modes of a polyatomic molecule. We show our preliminary results on the O(1s) photoionization, with special focus on the vibrationally resolved cross sections in a large range of photon energies, reaching up to 1500 eV
Google Scholar:Engin, Selma - González Vázquez, Jesús - Corral, Inés - Palacios Cañas, Alicia - Ayuso, David - Decleva, Piero - Martín García, Fernando
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