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Bridging the gap between first principles methods and empirical schemes, thedensity functional based tight-binding method (DFTB) has become a versatiletool in predictive atomistic simulations over the past years. One of the majorrestrictions of this method is the limitation to local or gradient correctedexchange-correlation functionals. This excludes the important class of hybridor long-range corrected functionals, which are advantageous in thermochemistry,as well as in the computation of vibrational, photoelectron and opticalspectra. The present work provides a detailed account of the implementation ofDFTB for a long-range corrected functional in generalized Kohn-Sham theory. Weapply the method to a set of organic molecules and compare ionizationpotentials and electron affinities with the original DFTB method and higherlevel theory. The new scheme cures the significant overpolarization in electricfields found for local DFTB, which parallels the functional dependence in firstprinciples density functional theory (DFT). At the same time the computationalsavings with respect to full DFT calculations are not compromised as evidencedby numerical benchmark data.

Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding method