Multibody scattering, correlation, molecular conduction, and the 0.7 anomaly.

@article{Subotnik2008MultibodySC,
  title={Multibody scattering, correlation, molecular conduction, and the 0.7 anomaly.},
  author={Joseph E. Subotnik and Abraham Nitzan},
  journal={The Journal of chemical physics},
  year={2008},
  volume={129 14},
  pages={144107}
}
We describe a new grid-based (or localized orbital-based) method for treating the effects of exchange and correlation on electronic transmission through a molecular target where there are initially other bound electrons. Our algorithm combines the approaches of (i) solid-state grid-based algorithms using self-energies and (ii) the complex Kohn method from… CONTINUE READING