39 citations · 50 across the 4 of their papers we have counts for
4 papers
DFT-based calculation of Coulomb blockade in molecular junction
Bo Song
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. When a molecular junction weakly coupled to external electrodes, cha…
Molecular junctions in the Coulomb blockade regime: rectification and nesting
Bo Song, Dmitry A. Ryndyk, Gianaurelio Cuniberti
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weak…
A wave function based ab initio non-equilibrium Green's function approach to charge transport
Martin Albrecht, Bo Song, Alexander Schnurpfeil
We present a novel ab initio non-equilibrium approach to calculate the current across a molecular junction. The method rests on a wave function based description of the central reg…
An ab initio non-equilibrium Green's function approach to charge transport: dithiolethine
Alexander Schnurpfeil, Bo Song, Martin Albrecht
We present a novel ab initio non-equilibrium approach to calculate the current across a molecular junction. The method rests on a wave function based full ab initio description of…