English

Towards a description of the Kondo effect using time-dependent density functional theory

Mesoscale and Nanoscale Physics 2015-05-28 v2 Strongly Correlated Electrons

Abstract

We demonstrate that the zero-temperature conductance of the Anderson model can be calculated within the Landauer formalism combined with static density functional theory (DFT). The proposed approximate functional is based on finite-temperature DFT and yields the exact Kohn-Sham potential at the particle-hole symmetric point. Furthermore, in the limit of zero temperature it correctly exhibits a derivative discontinuity which is shown to be essential to reproduce the conductance plateau. On the other hand, at the Kondo temperature the exact Kohn-Sham conductance overestimates the real one by an order of magnitude. To understand the failure of DFT we resort to its time-dependent version and conclude that the suppression of the Kondo resonance with increasing temperature must be attibuted to dynamical exchange-correlation corrections.

Keywords

Cite

@article{arxiv.1106.3728,
  title  = {Towards a description of the Kondo effect using time-dependent density functional theory},
  author = {G. Stefanucci and S. Kurth},
  journal= {arXiv preprint arXiv:1106.3728},
  year   = {2015}
}

Comments

5 pages, 3 figures

R2 v1 2026-06-21T18:24:31.303Z