@Article{JAMS-5-95,
author = {Zhang , Chun},
title = {Uniform Electron Gas under an External Bias: The Generalized Thomas-Fermi-Dirac Model and the Dual-Mean-Field Theory},
journal = {Journal of Atomic and Molecular Sciences},
year = {2014},
volume = {5},
number = {2},
pages = {95--99},
abstract = {<p style="text-align: justify;">The uniform electron gas placed between two reservoirs is used as a model
system for molecular junctions under an external bias. The energetics of the electron
gas are calculated by generalizing the Thomas-Fermi-Dirac (TFD) model to nonequilibrium
cases. We show that when the bias voltage is not zero, the first Hohenberg-Kohn
(HK) theorem breaks down, and energies of the electron gas can be determined by the
total electron density together with the density of nonequilibrium electrons, supporting
the dual-mean-field (DMF) theory recently proposed by us [J. Chem. Phys. 139,
(2013) 191103]. The generalization of TFD functionals to DMF ones is also discussed.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.111813.120613a},
url = {http://global-sci.org/intro/article_detail/jams/8304.html}
}