Non-equilibrium Born-Oppenheimer potential energy surfaces for molecular wires

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dc.creatorKosov, D. S.
dc.date2003-11-26
dc.date.accessioned2026-07-07T02:54:58Z
dc.date.available2026-07-07T02:54:58Z
dc.descriptionWe present a method for computing non-equilibrium, current-dependent Born-Oppenheimer potential energy surfaces for molecular wires. Calculations are performed for polyacetylene wire described by tight-binding model with electron-phonon interactions. We find that dimerization of the polyacetylene wire is amplified by electric current flow. We show that the boundary between transparent and opaque black states of the wire is blue-shifted by current.
dc.identifierhttps://arxiv.org/abs/cond-mat/0311599
dc.identifierhttp://arxiv.org/abs/cond-mat/0311599
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/22779
dc.subjectCondensed Matter
dc.titleNon-equilibrium Born-Oppenheimer potential energy surfaces for molecular wires
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