Literature DB >> 21796277

Broadening of the derivative discontinuity in density functional theory.

F Evers1, P Schmitteckert.   

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


  1 in total

1.  Exact exchange-correlation potential of an ionic Hubbard model with a free surface.

Authors:  V Brosco; Z-J Ying; J Lorenzana
Journal:  Sci Rep       Date:  2013       Impact factor: 4.379

  1 in total

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