@article{4eb31a6583c242d6980e04019511187f,
title = "Nonequilibrium steady state transport via the reduced density matrix operator",
abstract = "We present a very simple model for numerically describing the steady state dynamics of a system interacting with continua of states representing a bath. Our model can be applied to equilibrium and nonequilibrium problems. For a one-state system coupled to two free electron reservoirs, our results match the Landauer formula for current traveling through a molecule. More significantly, we can also predict the nonequilibrium steady state population on a molecule between two out-of-equilibrium contacts. While the method presented here is for one-electron Hamiltonians, we outline how this model may be extended to include electron-electron interactions and correlations, an approach which suggests a connection between the conduction problem and the electronic structure problem.",
author = "Subotnik, {Joseph E.} and Thorsten Hansen and Ratner, {Mark A.} and Abraham Nitzan",
note = "Funding Information: We thank Roi Baer, Ignacio Franco, David Masiello, Inon Sharony, and Anthony Dutoi for helpful discussions. J.E.S. was supported by the NSF International Research Fellowship Program. M.A.R. thanks the NSF chemistry divsion, the NSF MRSEC, and the DOD MURI program. A.N. thanks the Israel Science Foundation, the German Israel Foundation and the ERC for support.",
year = "2009",
doi = "10.1063/1.3109898",
language = "אנגלית",
volume = "130",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics",
number = "14",
}