dorsal/arxiv
View SchemaWave packet propagation study of the charge transfer interaction in the F^- -Cu(111) and -Ag(111) systems
| Authors | A. G. Borisov, J. P. Gauyacq, S. V. Shabanov |
|---|---|
| Categories | |
| ArXiv ID | physics/0103014 |
| URL | https://arxiv.org/abs/physics/0103014 |
| DOI | 10.1016/S0039-6028(01)01102-5 |
| Journal | Surf. Sci. 487 (2001) 243-257 |
Abstract
The electron transfer between an $F^{-}$ ion and $Cu(111)$ and $Ag(111)$ surfaces is studied by the wave packet propagation method in order to determine specifics of the charge transfer interaction between the negative ion and the metal surface due to the projected band gap. A new modeling of the $F^{-}$ ion is developed that allows one to take into account the six quasi-equivalent electrons of $F^{-}$ which are {\it a priori} active in the charge transfer process. The new model invokes methods of constrained quantum dynamics. The six-electron problem is transformed to two one-electron problems linked via a constraint. The projection method is used to develop a wave packet propagation subject to the modeling constraint. The characteristics (energy and width) of the ion $F^{-}$ ion level interacting with the two surfaces are determined and discussed in connection with the surface projected band gap.
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"abstract": "The electron transfer between an $F^{-}$ ion and $Cu(111)$ and $Ag(111)$\nsurfaces is studied by the wave packet propagation method in order to determine\nspecifics of the charge transfer interaction between the negative ion and the\nmetal surface due to the projected band gap. A new modeling of the $F^{-}$ ion\nis developed that allows one to take into account the six quasi-equivalent\nelectrons of $F^{-}$ which are {\\it a priori} active in the charge transfer\nprocess. The new model invokes methods of constrained quantum dynamics. The\nsix-electron problem is transformed to two one-electron problems linked via a\nconstraint. The projection method is used to develop a wave packet propagation\nsubject to the modeling constraint. The characteristics (energy and width) of\nthe ion $F^{-}$ ion level interacting with the two surfaces are determined and\ndiscussed in connection with the surface projected band gap.",
"arxiv_id": "physics/0103014",
"authors": [
"A. G. Borisov",
"J. P. Gauyacq",
"S. V. Shabanov"
],
"categories": [
"physics.atom-ph",
"physics.comp-ph",
"quant-ph"
],
"doi": "10.1016/S0039-6028(01)01102-5",
"journal_ref": "Surf. Sci. 487 (2001) 243-257",
"title": "Wave packet propagation study of the charge transfer interaction in the F^- -Cu(111) and -Ag(111) systems",
"url": "https://arxiv.org/abs/physics/0103014"
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