Dynamical corrections to the DFT-LDA electron conductance in nanoscale   systems
  Using time-dependent current-density functional theory, we derive analytically the dynamical exchange-correlation correction to the DC conductance of nanoscale junctions. The correction pertains to the conductance calculated in the zero-frequency limit of time-dependent density-functional theory within the adiabatic local-density approximation. In particular, we show that in linear response the correction depends non-linearly on the gradient of the electron density; thus, it is more pronounced for molecular junctions than for quantum point contacts. We provide specific numerical examples to illustrate these findings. 
Na Sai (1), Michael Zwolak (2), Giovanni Vignale (3), Massimiliano Di   Ventra (1) ((1) UCSD, (2)Caltech, (3) Univ. of Missouri)