Current-Density Functional Theory of the Response of Solids
classification
❄️ cond-mat.mtrl-sci
keywords
functionaltheorydensitycurrentpolarizationresponsetddfttime-dependent
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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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