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Independent particle descriptions of tunneling from a many-body perspective | | Giorgos Fagas
; Paul Delaney
; James C. Greer
; | | Date: |
1 Jun 2006 | | Subject: | Materials Science; Mesoscopic Systems and Quantum Hall Effect | | Abstract: | Currents 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. | | Source: | arXiv, cond-mat/0606026 | | Services: | Forum | Review | PDF | Favorites | |
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