Literature DB >> 22861876

Exact density-functional potentials for time-dependent quasiparticles.

J D Ramsden1, R W Godby.   

Abstract

We calculate the exact Kohn-Sham potential that describes, within time-dependent density-functional theory, the propagation of an electron quasiparticle wave packet of nonzero 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 nonequilibrium 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.

Entities:  

Year:  2012        PMID: 22861876     DOI: 10.1103/PhysRevLett.109.036402

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  Time-resolved spectroscopy in time-dependent density functional theory: an exact condition.

Authors:  Johanna I Fuks; Kai Luo; Ernesto D Sandoval; Neepa T Maitra
Journal:  Phys Rev Lett       Date:  2015-05-05       Impact factor: 9.161

2.  Kinetic and interaction components of the exact time-dependent correlation potential.

Authors:  Kai Luo; Johanna I Fuks; Ernesto D Sandoval; Peter Elliott; Neepa T Maitra
Journal:  J Chem Phys       Date:  2014-05-14       Impact factor: 3.488

  2 in total

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