title: Dynamical corrections to the DFT-LDA electron conductance in nanoscale systems.
abstract: 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 nonlinearly 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.
authors.affiliation: Department of Physics, University of California-San Diego, La Jolla, CA 92093-0319, USA.
authors.forename: Na
authors.initials: N
authors.lastname: Sai
authors.forename: Michael
authors.initials: M
authors.lastname: Zwolak
authors.forename: Giovanni
authors.initials: G
authors.lastname: Vignale
authors.forename: Massimiliano
authors.initials: M
authors.lastname: Di Ventra