We discuss the key steps that have to be followed to calculate quantum transport out of equilibrium by means of the { \it ab initio} Gaussian Embedded Cluster Method recently developed by the authors. Our main aim is to emphasize through several examples that, if a sufficiently large portion of the electrodes is included in the { \it ab initio} calculation, which does also incorporate an electrochemical potential difference $\mu_L-\mu_R=eV$, there is no need to impose an electrostatic potential $V$ drop accross the system.
Categories: cond-mat
