A time-dependent approach to electronic transmission in model molecular junctions.

@article{Renaud2011ATA,
  title={A time-dependent approach to electronic transmission in model molecular junctions.},
  author={Nicolas Renaud and Mark A. Ratner and Christian Joachim},
  journal={The journal of physical chemistry. B},
  year={2011},
  volume={115 18},
  pages={5582-92}
}
We present a simple method to compute the transmission coefficient of a quantum system embedded between two conducting electrodes. Starting from the solution of the time-dependent Schrodinger equation, we demonstrate the relationship between the temporal evolution of the state vector, |ψ(t)>, initially localized on one electrode and the electronic transmission coefficient, T(E). We particularly emphasize the role of the oscillation frequency and the decay rate of |ψ(t)> in the line shape of T(E… CONTINUE READING