Ionization of the Xenon Fluorides

dc.creatorButh, Christian
dc.creatorSantra, Robin
dc.creatorCederbaum, Lorenz S.
dc.date2003-06-15
dc.date2003-12-06
dc.date.accessioned2026-07-07T05:49:28Z
dc.date.available2026-07-07T05:49:28Z
dc.descriptionThe noble-gas atom xenon can bind fluorine atoms and form several stable compounds. We study the electronic structure of the xenon fluorides (XeFn, n = 2,4,6) by calculating their ionization spectra using a Green's function method, which allows to treat many-body effects at a high level. Our focus is on the valence region and on the Xe 4d core hole. We observe a sensitive dependence of the spectra on the number of fluorine ligands. Systematic line shifts are uncovered and explained. In the Xe 5s and F 2s inner-valence regimes, from XeF2 to XeF6, the usefulness of the one-particle picture of ionization is found to become progressively worse. Moreover, adding the electronegative fluorine ligands seems to enhance--not suppress--the Auger decay of a Xe 4d core hole.
dc.description10 pages, 2 figures, 4 tables, RevTeX4, corrected typos
dc.identifierhttps://arxiv.org/abs/physics/0306123
dc.identifierhttp://arxiv.org/abs/physics/0306123
dc.identifierJ. Chem. Phys. 119, 7763--7771 (2003)
dc.identifierdoi:10.1063/1.1609975
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/85402
dc.subjectChemical Physics
dc.titleIonization of the Xenon Fluorides
dc.typetext

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