Many-body treatment of quantum transport through single molecules

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dc.creatorBergfield, J. P.
dc.creatorStafford, C. A.
dc.date2008-03-19
dc.date2008-12-11
dc.date.accessioned2026-07-07T12:11:32Z
dc.date.available2026-07-07T12:11:32Z
dc.descriptionWe develop a theoretical approach to quantum transport through single conjugated organic molecules that accurately accounts for all molecular excited and ground states via a semi-empirical many-body molecular Hamiltonian. We then calculate the linear and non-linear transport properties of a benzenedithiol molecule covalently bonded to two gold electrodes at room temperature, eliminating all free parameters by comparing the calculated thermopower and linear-conductance with experiment. The resulting `molecular diamond' structure exhibits experimentally observed many-body effects inaccessible to mean-field approaches.
dc.descriptionA revised and significantly expanded treatment is given in arXiv:0812.0867
dc.identifierhttps://arxiv.org/abs/0803.2756
dc.identifierhttp://arxiv.org/abs/0803.2756
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/210246
dc.subjectMaterials Science
dc.subjectMesoscale and Nanoscale Physics
dc.titleMany-body treatment of quantum transport through single molecules
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