2.2k citations · 5.9k across the 62 of their papers we have counts for
3 papers · 1 filter
Many-body correlations and coupling in benzene-dithiol junctions
Tonatiuh Rangel, Andrea Ferretti, Valerio Olevano +1
Most theoretical studies of nanoscale transport in molecular junctions rely on the combination of the Landauer formalism with Kohn-Sham density functional theory (DFT) using standa…
Can molecular projected density-of-states (PDOS) be systematically used in electronic conductance analysis?
Tonatiuh Rangel, Gian-Marco Rignanese, Valerio Olevano
Using benzene-diamine and benzene-dithiol molecular junctions as benchmarks, we investigate the widespread analysis of the quantum transport conductance in terms o…
Transport properties of molecular junctions from many-body perturbation theory
T. Rangel, A. Ferretti, P. E. Trevisanutto +2
The conductance of single molecule junctions is calculated using a Landauer approach combined to many-body perturbation theory MBPT) to account for electron correlation. The mere c…