Accuracy of density functionals for molecular electronics: the Anderson   junction
  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. 
Zhenfei Liu, Justin P. Bergfield, Kieron Burke, Charles A. Stafford
cond-mat.mes-hall