Broadening of the Derivative Discontinuity in Density Functional Theory
Mesoscale and Nanoscale Physics
2017-09-13 v1
Abstract
We clarify an important aspect of density functional theories, the broadening of the derivative discontinuity (DD) in a quantum system, with fluctuating particle number. Our focus is on a correlated model system, the single level quantum dot in the regime of the Coulomb blockade. We find that the DD-broadening is controlled by the small parameter , where is the level broadening due to contacting and is a measure of the charging energy. Our analysis suggests, that Kondoesque fluctuations have a tendency to increase the DD-broadening, in our model by a factor of two.
Keywords
Cite
@article{arxiv.1106.3658,
title = {Broadening of the Derivative Discontinuity in Density Functional Theory},
author = {F. Evers and P. Schmitteckert},
journal= {arXiv preprint arXiv:1106.3658},
year = {2017}
}
Comments
4 pages, 2 figures