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Transport calculations based on density functional theory, Friedel's sum rule, and the Kondo effect

Tröster, Philipp ; Schmitteckert, Peter ; Evers, Ferdinand


Friedel's sum rule provides an explicit expression for a conductance functional G[n], valid for the single-impurity Anderson model at zero temperature. The functional is special because it does not depend on the interaction strength U. As a consequence, the Landauer conductance for the Kohn-Sham (KS) particles of density functional theory (DFT) coincides with the true conductance of the ...


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