Zero-bias molecular electronics: Exchange-correlation corrections to Landauer's formula

Abstract

Standard first principles calculations of transport through single molecules miss exchange-correlation corrections to the Landauer formula. From Kubo response theory, both the Landauer formula and these corrections in the limit of zero bias are derived and calculations are presented.

4 pages, 3 figures, final version to appear in Phys. Rev. B, Rapid Communications

References in corpus (3)

• Dynamical corrections to the DFT-LDA electron conductance in nanoscale systems
• Time-dependent quantum transport: an exact formulation based on TDDFT
• Conductance and polarization in quantum junctions

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