Density functional description of Coulomb blockade: Adiabatic or dynamic exchange-correlation?

TL;DR

This paper develops a parameterization for exchange-correlation potentials in Anderson junctions to better understand Coulomb blockade phenomena, challenging the common view of dynamical contributions.

Contribution

It introduces a new parameterization for exchange-correlation effects in Anderson junctions applicable across all correlation strengths.

Findings

Zero-bias conductance misses Coulomb blockade above Kondo temperature

Parameterization applies universally across correlation regimes

Questions the interpretation of dynamical exchange-correlation contributions

Abstract

Above the Kondo temperature, the Kohn-Sham zero-bias conductance of an Anderson junction has been shown to completely miss the Coulomb blockade. Within a standard model for the spectral function, we deduce a parameterization for both the onsite exchange-correlation potential and the bias drop as a function of the site occupation that applies for all correlation strengths. We use our results to sow doubt on the common interpretation of such corrections as arising from dynamical exchange-correlation contributions.