| Literature DB >> 21796277 |
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, where Γ is the level broadening due to contacting and U 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.Year: 2011 PMID: 21796277 DOI: 10.1039/c1cp21247h
Source DB: PubMed Journal: Phys Chem Chem Phys ISSN: 1463-9076 Impact factor: 3.676