dorsal/arxiv
View SchemaIonization of the Xenon Fluorides
| Authors | Christian Buth, Robin Santra, Lorenz S. Cederbaum |
|---|---|
| Categories | |
| ArXiv ID | physics/0306123 |
| URL | https://arxiv.org/abs/physics/0306123 |
| DOI | 10.1063/1.1609975 |
| Journal | J. Chem. Phys. 119, 7763--7771 (2003) |
Abstract
The 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.
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"abstract": "The noble-gas atom xenon can bind fluorine atoms and form several stable\ncompounds. We study the electronic structure of the xenon fluorides (XeFn, n =\n2,4,6) by calculating their ionization spectra using a Green\u0027s function method,\nwhich allows to treat many-body effects at a high level. Our focus is on the\nvalence region and on the Xe 4d core hole. We observe a sensitive dependence of\nthe spectra on the number of fluorine ligands. Systematic line shifts are\nuncovered and explained. In the Xe 5s and F 2s inner-valence regimes, from XeF2\nto XeF6, the usefulness of the one-particle picture of ionization is found to\nbecome progressively worse. Moreover, adding the electronegative fluorine\nligands seems to enhance--not suppress--the Auger decay of a Xe 4d core hole.",
"arxiv_id": "physics/0306123",
"authors": [
"Christian Buth",
"Robin Santra",
"Lorenz S. Cederbaum"
],
"categories": [
"physics.chem-ph"
],
"doi": "10.1063/1.1609975",
"journal_ref": "J. Chem. Phys. 119, 7763--7771 (2003)",
"title": "Ionization of the Xenon Fluorides",
"url": "https://arxiv.org/abs/physics/0306123"
},
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