Some open questions in TDDFT: Clues from lattice models and Kadanoff-Baym dynamics

Claudio Verdozzi, Daniel Karlsson, Marc Puig von Friesen, Carl-Olof Almbladh, Ulf von Barth

Research output: Contribution to journalArticlepeer-review


Two aspects of TDDFT, the linear response approach and the adiabatic local density approximation, are examined from the perspective of lattice models. To this end, we review the DFT formulations on the lattice and give a concise presentation of the time-dependent Kadanoff-Baym equations, used to asses the limitations of the adiabatic approximation in TDDFT. We present results for the density response function of the 3D homogeneous Hubbard model, and point out a drawback of the linear response scheme based on the linearized Sham-Schluter equation. We then suggest a prescription on how to amend it. Finally, we analyze the time evolution of the density in a small cubic cluster, and compare exact, adiabatic-TDDFT and Kadanoff-Baym equations densities. Our results show that non-perturbative (in the interaction) adiabatic potentials can perform quite well for slow perturbations but that, for faster external fields, memory effects, as already present in simple many-body approximations, are clearly required. (C) 2011 Elsevier B. V. All rights reserved.
Original languageEnglish
Pages (from-to)37-49
JournalChemical Physics
Issue number1
Publication statusPublished - 2011

Subject classification (UKÄ)

  • Condensed Matter Physics

Free keywords

  • Linear response
  • Adiabatic local density approximation
  • Hubbard model


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