Current-Density Functional Theory of the Response of Solids

Details Current-Density Functional Theory of the Response of Solids Current-Density Functional Theory of the Response of Solids

2002-05-28

arxiv.org/abs/cond-mat/0205603v2

Physics

Condensed Matter

Materials Science

5 pages, accepted in PRB

Scientific paper

10.1103/PhysRevB.68.045109

The response of an extended periodic system to a homogeneous field (of wave-vector $q=0$) cannot be obtained from a $q=0$ 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.

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