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We present a comprehensive first-principles study of the ballistic transportproperties of low dimensional nanostructures such as linear chains of atoms(Al, C) and carbon nanotubes in presence of defects. A novel approach isintroduced where quantum conductance is computed from the combination ofaccurate plane-wave electronic structure calculations, the evaluation of thecorresponding maximally-localized Wannier functions, and the calculation oftransport properties by a real-space Green's function method based on theLandauer formalism. This approach is computationally very efficient, can bestraightforwardly implemented as a post-processing step in a standardelectronic-structure calculation, and allows to directly link the electronictransport properties of a device to the nature of the chemical bonds, providinginsight onto the mechanisms that govern electron flow at the nanoscale.Comment: to be published in Phys. Rev. B (2003

Ab initiotransport properties of nanostructures from maximally localized Wannier functions