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Hamiltonian theory for vibrational line shapes of atoms adsorbed on surfaces

AuthorsGuantes, R.; Vega, J. L.; Miret-Artés, Salvador ; Pollak, Eli
Issue Date2004
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 120: 10768- 10779 (2004)
AbstractAn analytical theory which was based on a Hamiltonian equivalent of the generalized Langevin equation, for the line shape, temperature-dependent shift and broadening of the translational or T-mode peak is presented. The theory can be used to infer physical parameters of the adatom-surface interaction. For the line shape a first-order perturbative solution of the normal-mode coordinates was used. For the shift and broadening, a perturbative expansion in the instantaneous system frequency was employed.
Identifiersdoi: 10.1063/1.1737299
issn: 0021-9606
Appears in Collections:(CFMAC-IFF) Artículos
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