Exact time-dependent density functional theory for impurity models

Abstract

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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Cited by in corpus (16)

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• Non-Adiabatic Approximations in Time-Dependent Density Functional Theory: Progress and Prospects
• Linear response time-dependent density functional theory of the Hubbard dimer
• A many-body approach to transport in quantum systems: From the transient regime to the stationary state
• Transport through correlated systems with density functional theory
• Nonequilibrium Anderson model made simple with density functional theory
• Time-Dependent Density Functional Theory Beyond Kohn-Sham Slater Determinants
• Adiabatic and local approximations for the Kohn-Sham potential in time-dependent Hubbard chains
• Disorder and interactions in systems out of equilibrium: The exact independent-particle picture from density functional theory
• Time-dependent i-DFT exchange-correlation potentials with memory: Applications to the out-of-equilibrium Anderson model
• Solver for the electronic V-representation problem of time-dependent density functional theory
• Ultra-nonlocality in density functional theory for photo-emission spectroscopy
• The dark side of DFT based transport calculations
• Modified Li chains as atomic switches
• Non-equilibrium transport through a model quantum dot: Hartree-Fock approximation and beyond
• Inverse Mean Field Theory