Linear optical response of current-carrying molecular junction: A NEGF-TDDFT approach

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dc.creatorGalperin, Michael
dc.creatorTretiak, Sergei
dc.date2007-12-07
dc.date.accessioned2026-07-07T09:30:21Z
dc.date.available2026-07-07T09:30:21Z
dc.descriptionWe propose a scheme for calculation of linear optical response of current-carrying molecular junctions for the case when electronic tunneling through the junction is much faster than characteristic time of external laser field. We discuss relationships between nonequilibrium Green function (NEGF) and time-dependent density functional theory (TDDFT) approaches, and derive expressions for optical response and linear polarizability within NEGF-TDDFT scheme. Corresponding results for isolated molecule, derived within TDDFT approach previously, are reproduced when coupling to contacts is neglected.
dc.description10 pages
dc.identifierhttps://arxiv.org/abs/0712.1166
dc.identifierhttp://arxiv.org/abs/0712.1166
dc.identifierJ. Chem. Phys. 128, 124705 (2008)
dc.identifierdoi:10.1063/1.2876011
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/158095
dc.subjectMesoscale and Nanoscale Physics
dc.subjectMaterials Science
dc.titleLinear optical response of current-carrying molecular junction: A NEGF-TDDFT approach
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