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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.


Niehaus, Thomas A. and Heringer, D. and Torralva, B. and Frauenheim, Th. (2005) Importance of electronic self-consistency in the TDDFT based treatment of nonadiabatic molecular dynamics. Eur. Phys. J. D 35, p. 467. Fulltext not available.

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