Kohn-Sham equations for nanowires with direct current
Condensed Matter
2009-11-10 v2
Abstract
The paper describes the derivation of the Kohn-Sham equations for a nanowire with direct current. A value of the electron current enters the problem as an input via a subsidiary condition imposed by pointwise Lagrange multiplier. Using the constrained minimization of the Hohenberg-Kohn energy functional, we derive a set of self-consistent equations for current carrying orbitals of the molecular wire.
Cite
@article{arxiv.cond-mat/0302186,
title = {Kohn-Sham equations for nanowires with direct current},
author = {D. S. Kosov},
journal= {arXiv preprint arXiv:cond-mat/0302186},
year = {2009}
}