Exact time-dependent density functional theory for impurity models
Mesoscale and Nanoscale Physics
2017-09-13 v1
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.
Cite
@article{arxiv.1205.4854,
title = {Exact time-dependent density functional theory for impurity models},
author = {Peter Schmitteckert and Michael Dzierzawa and Peter Schwab},
journal= {arXiv preprint arXiv:1205.4854},
year = {2017}
}