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Heringer, D. and Niehaus, Thomas A. and Wanko, M. and Frauenheim, Th. (2007) Analytical excited state forces for the time-dependent density-functional tight-binding method [Erratum: 33, 593 (2012)]. J. Comp. Chem. 28, pp. 2589-2601. Fulltext not available.


Wanko, M. and Garavelli, M. and Bernardi, F. and Niehaus, Thomas A. and Frauenheim, T. and Elstner, M. (2004) A global investigation of excited state surfaces within time-dependent density-functional response theory. J. Chem. Phys. 120, pp. 1674-1692. Fulltext not available.

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