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Exact density-functional potentials for time-dependent quasiparticles

Authors :
Ramsden, J. D.
Godby, R. W.
Publication Year :
2012

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.<br />Comment: 4 pages, 3 figures

Details

Database :
arXiv
Publication Type :
Report
Accession number :
edsarx.1206.6035
Document Type :
Working Paper
Full Text :
https://doi.org/10.1103/PhysRevLett.109.036402