 | 2012 |
| 4 |  | Supriya Saha,
Sougata Pal,
Pranab Sarkar,
A. L. Rosa,
Thomas Frauenheim:
A complete set of self-consistent charge density-functional tight-binding parametrization of zinc chalcogenides (ZnX; X=O, S, Se, and Te).
Journal of Computational Chemistry 33(12): 1165-1178 (2012) |
| 3 |  | D. Heringer,
T. A. Niehaus,
M. Wanko,
Thomas Frauenheim:
Analytical excited state forces for the time-dependent density-functional tight-binding method [Journal of Computational Chemistry 28, 2589].
Journal of Computational Chemistry 33(5): 593 (2012) |
| 2007 |
| 2 |  | D. Heringer,
T. A. Niehaus,
M. Wanko,
Thomas Frauenheim:
Analytical excited state forces for the time-dependent density-functional tight-binding method.
Journal of Computational Chemistry 28(16): 2589-2601 (2007) |
| 2003 |
| 1 |  | Marcus Elstner,
Qiang Cui,
Petra Munih,
Efthimios Kaxiras,
Thomas Frauenheim,
Martin Karplus:
Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis.
Journal of Computational Chemistry 24(5): 565-581 (2003) |