9 citations · 15 across the 4 of their papers we have counts for
4 papers
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…
Charge Transport Properties of Molecular Junctions built from Dithiol Polyenes
Alexander Schnurpfeil, Martin Albrecht
We present a study of the charge transmission behavior of a series of dithiol polyenes in the context of molecular junctions. Using the Landauer theory and zero voltage approximati…
From a local Green function to molecular charge transport
M. Albrecht, A. Schnurpfeil, G. Cuniberti
A local-orbital based ab initio approach to obtain the Green function for large heterogeneous systems is developed. First a Green function formalism is introduced based on exact di…
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…