Kavli Affiliate: Joseph M. Thijssen | First 5 Authors: Fatemeh Mirjani, Joseph M. Thijssen, , , | Summary: We present a method which uses density functional theory (DFT) to treat transport through a single molecule connected to two conducting leads for the weak and intermediate coupling. This case is not accessible to standard non-equilibrium Green’s […]
Continue.. DFT-based many-body analysis of electron transport through molecules