Analytical excited state forces for the time-dependent density-functional tight-binding method. - D. Heringer; T. A. Niehaus; Marius Wanko; Thomas Frauenheim (J. Comput. Chem., 2007)

Analytical excited state forces for the time-dependent density-functional tight-binding method [Journal of Computational Chemistry 28, 2589]. - D. Heringer; T. A. Niehaus; Marius Wanko; Thomas Frauenheim (J. Comput. Chem., 2012)