Steady-state non-equilibrium numerical renormalization group approach applied to molecular electronics

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This project focuses on the steady-state transport properties of nano-devices consisting of a strongly correlated central region as realised in small quantum dots or molecular junctions. We propose the application of a novel technique to steady state quantum transport based on Wilson's numerical renormalization group approach to directly calculate the current-voltage characteristics of molecular junction in the non-equilibrium regime for strong coupling constants.The influence of a rattling motion onto the current transport and possibility ofa current driven bistability of the molecular occupation in asymmetric molecular junctions shall be investigated. Ab-initio LDA hybridization functions will be used as single-particle input for a realistic modeling of molecular junctions.