English

Current-Density Functional Theory of the Response of Solids

Materials Science 2016-08-31 v2

Abstract

The response of an extended periodic system to a homogeneous field (of wave-vector q=0q=0) cannot be obtained from a q=0q=0 time-dependent density functional theory (TDDFT) calculation, because the Runge-Gross theorem does not apply. Time-dependent {\em current}-density functional theory is needed and demonstrates that one key ingredient missing from TDDFT is the macroscopic current. In the low-frequency limit, in certain cases, density polarization functional theory is recovered and a formally exact expression for the polarization functional is given.

Keywords

Cite

@article{arxiv.cond-mat/0205603,
  title  = {Current-Density Functional Theory of the Response of Solids},
  author = {Neepa T. Maitra and Ivo Souza and Kieron Burke},
  journal= {arXiv preprint arXiv:cond-mat/0205603},
  year   = {2016}
}

Comments

5 pages, accepted in PRB