Numerically exact, time-dependent study of correlated electron transport in model molecular junctions

The multilayer multiconfiguration time-dependent Hartree theory within second quantization representation of the Fock space is applied to study correlated electron transport in models of single-molecule junctions. Extending previous work, we consider models which include both electron-electron and electronic-vibrational interaction. The results show the influence of the interactions on the transient and the stationary electrical current. The underlying physical mechanisms are analyzed in conjunction with the nonequilibrium electronic population of the molecular bridge. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4798404]