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Time-Dependent Extension of the Long-Range Corrected Density Functional Based Tight-Binding Method

Kranz, Julian J. ; Elstner, Marcus ; Aradi, Bálint ; Frauenheim, Thomas ; Lutsker, Vitalij ; Garcia, Adriel Dominguez ; Niehaus, Thomas A.


We present a consistent linear response formulation of the density functional based tight-binding method for long-range corrected exchange-correlation functionals (LC-DFTB). Besides a detailed account of derivation and implementation of the method, we also test the new scheme on a variety of systems considered to be problematic for conventional local/semilocal time-dependent density functional ...


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