1205.4854 (Peter Schmitteckert et al.)

Exact time-dependent density functional theory for impurity models    [PDF]

Peter Schmitteckert, Michael Dzierzawa, Peter Schwab

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.

View original: http://arxiv.org/abs/1205.4854