D. Heringer

Importance of electronic self-consistency in the TDDFT based treatment of nonadiabatic molecular dynamics

T. Frauenheim, T. Niehaus, B. Torralva, 2004, physics/0411104.

Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment.

V. H. Smith, M. Manaa, M. Nicklaus, 2003, The Journal of chemical physics.

Analytical excited state forces for the time‐dependent density‐functional tight‐binding method

Thomas Frauenheim, D. Heringer, T. A. Niehaus, 2007, J. Comput. Chem..

Isolated oxygen defects in 3C- and 4H-SiC: A theoretical study

W. J. Choyke, Á. Gali, T. Frauenheim, 2002 .

Anharmonicity of the C–H stretch mode in SiC: Unambiguous identification of hydrogen–silicon vacancy defect

W. J. Choyke, Á. Gali, B. Aradi, 2002 .