English

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 Γ/U\Gamma/U, where Γ\Gamma is the level broadening due to contacting and UU 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