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Transport calculations using exact DFT Functionals

Seminar by Professor Peter Schmitteckert, Universität Karlsruhe.

Abstract
We present a method which employs the density matrix renormalization group technique in order to construct exact ground state exchange correlation functionals for models of correlated electron systems coupled to external reservoirs. We apply the method in order to demonstrate that conductance calculations based on the Kohn-Sham ground state density functional theory can yield quantitative results for the position and broadening of transport resonances of quantum dots in the Coulomb blockade regime. Finally we apply the approach to systems beyond the resonant tunneling limit where Kondo physics may be important.