Inelastic transport: a pseudoparticle approach

Abstract

We discuss a pseudoparticle NEGF approach as a tool to describe transport in molecular junctions in the language of many-body states of the molecule. A method developed by Oh et al. [Phys. Rev. B, 2011, 83, 205302] is applied to inelastic transport in the case of strong electron-vibron interaction. The approach can be seen as a generalization of the exact mapping developed by Bonca and Trugman [Phys. Rev. Lett., 1995, 75, 2566] which includes information on the Pauli exclusion principle and Fermi electron distribution in the leads. Within simple model calculations of inelastic transport in junctions, we compare the pseudoparticle approach to other approximate NEGF schemes.