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arxiv: 1206.6035 · v1 · pith:BBMJGHM2new · submitted 2012-06-26 · ❄️ cond-mat.mes-hall

Exact density-functional potentials for time-dependent quasiparticles

classification ❄️ cond-mat.mes-hall
keywords kohn-shamchargedensitydensity-functionaldependenceexactfunctionallocal
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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.

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