Independent particle descriptions of tunneling from a many-body perspective

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dc.creatorFagas, Giorgos
dc.creatorDelaney, Paul
dc.creatorGreer, James C.
dc.date2006-06-01
dc.date.accessioned2026-07-07T07:45:13Z
dc.date.available2026-07-07T07:45:13Z
dc.descriptionCurrents across thin insulators are commonly taken as single electrons moving across classically forbidden regions; this independent particle picture is well-known to describe most tunneling phenomena. Examining quantum transport from a different perspective, i.e., by explicit treatment of electron-electron interactions, we evaluate different single particle approximations with specific application to tunneling in metal-molecule-metal junctions. We find maximizing the overlap of a Slater determinant composed of single particle states to the many-body current-carrying state is more important than energy minimization for defining single particle approximations in a system with open boundary conditions. Thus the most suitable single particle effective potential is not one commonly in use by electronic structure methods, such as the Hartree-Fock or Kohn-Sham approximations.
dc.description4+ pages, 4 figures; accepted to Phys. Rev. B Rapid Communications
dc.identifierhttps://arxiv.org/abs/cond-mat/0606026
dc.identifierhttp://arxiv.org/abs/cond-mat/0606026
dc.identifierPhys. Rev. B 73, 241314(R) (2006)
dc.identifierdoi:10.1103/PhysRevB.73.241314
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/123459
dc.subjectMaterials Science
dc.subjectMesoscale and Nanoscale Physics
dc.titleIndependent particle descriptions of tunneling from a many-body perspective
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