The exact ground-state exchange-correlation functional of Kohn-Sham density functional theory yields the exact transmission through an Anderson junction at zero bias and temperature. The exact impurity charge susceptibility is used to construct the exact exchange-correlation potential. We analyze the successes and limitations of various types of approximations, including smooth and discontinuous functionals of the occupation, as well as symmetry-broken approaches.
@article{arxiv.1201.1310,
title = {Accuracy of density functionals for molecular electronics: the Anderson junction},
author = {Zhenfei Liu and Justin P. Bergfield and Kieron Burke and Charles A. Stafford},
journal= {arXiv preprint arXiv:1201.1310},
year = {2015}
}