Exact density-functional potentials for time-dependent quasiparticles
Mesoscale and Nanoscale Physics
2015-06-05 v1
Abstract
We calculate the exact Kohn-Sham potential that describes, within time-dependent density-functional theory, the propagation of an electron quasiparticle wavepacket of non-zero crystal momentum added to a ground-state model semiconductor. The potential is observed to have a highly nonlocal functional dependence on the charge density, in both space and time, giving rise to features entirely lacking in local or adiabatic approximations. The dependence of the non-equilibrium part of the Kohn-Sham electric field on the local current and charge density is identified as a key element of the correct Kohn-Sham functional.
Keywords
Cite
@article{arxiv.1206.6035,
title = {Exact density-functional potentials for time-dependent quasiparticles},
author = {J. D. Ramsden and R. W. Godby},
journal= {arXiv preprint arXiv:1206.6035},
year = {2015}
}
Comments
4 pages, 3 figures