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arxiv: 1205.4854 · v1 · pith:R6TAUJAYnew · submitted 2012-05-22 · ❄️ cond-mat.mes-hall

Exact time-dependent density functional theory for impurity models

classification ❄️ cond-mat.mes-hall
keywords densitytime-dependentcorrelationexactexchangefunctionalfunctionalsimpurity
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We employ the density matrix renormalization group to construct the exact time-dependent exchange correlation potential for an impurity model with an applied transport voltage. Even for short-ranged interaction we find an infinitely long-ranged exchange correlation potential which is built up {instantly} after switching on the voltage. Our result demonstrates the fundamental difficulties of transport calculations based on time-dependent density functional theory. While formally the approach works, important information can be missing in the ground-state functionals and may be hidden in the usually unknown non-equilibrium functionals.

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