64 citations · 111 across the 6 of their papers we have counts for
6 papers
Destructive quantum interference in electron transport: A reconciliation of the molecular orbital and the atomic orbital perspective
Xin Zhao, Victor Geskin, Robert Stadler
Destructive quantum interference (DQI) in single molecule electronics is a purely quantum mechanical effect and entirely defined by inherent properties of the molecule in the junct…
Partial vs. integer electron transfer in molecular assemblies: On the importance of a multideterminant theoretical description and the necessity to find a solution within DFT
Victor Geskin, Robert Stadler, Jérôme Cornil
Nonequilibrium Greens function techniques (NEGF) combined with density functional theory (DFT) calculations have become a standard tool for the description of electron transport th…
Electron transfer through a single barrier inside a molecule: from strong to weak coupling
Robert Stadler, Jerome Cornil, Victor Geskin
In all theoretical treatments of electron transport through single molecules between two metal electrodes, a clear distinction has to be made between a coherent transport regime wi…
Screening effects in a density functional theory based description of molecular junctions in the Coulomb blockade regime
R. Stadler, V. geskin, J. Cornil
We recently introduced a method based on density functional theory (DFT) and non-equilibrium Green's function techniques (NEGF) for calculating the addition energies of single mole…
A theoretical view on unimolecular rectification
R Stadler, V Geskin, J Cornil
The concept of single molecule rectifiers proposed in a theoretical work by Aviram and Ratner in 1974 was the starting point of the now vibrant field of molecular electronics. In t…
Towards a theoretical description of molecular junctions in the Coulomb blockade regime based on density functional theory
R. Stadler, V. Geskin, J. Cornil
Non-equilibrium Greens function techniques (NEGF) combined with Density Functional Theory (DFT) calculations have become a standard tool for the description of electron transport t…