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Number of items: 4.


Lutsker, Vitalij, Aradi, B. and Niehaus, Thomas A. (2015) Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding method. The Journal of Chemical Physics 143, p. 184107. Fulltext not available.


Wehling, Tim O., Grundkötter-Stock, Bernhard, Aradi, B., Frauenheim, Th. and Niehaus, Thomas A. (2014) Charge-doping-induced phase transitions in hydrogenated and fluorinated graphene. Physical Review B (PRB) 90, 085422.


Dominguez, A., Aradi, B., Frauenheim, Th., Lutsker, Vitalij and Niehaus, Thomas A. (2013) Extensions of the time-dependent density functional based tight-binding approach. J. Chem. Theory Comput. 9, p. 4901. Fulltext not available.


Hourahine, B., Sanna, S., Aradi, B., Köhler, C., Niehaus, Thomas A. and Frauenheim, Th. (2007) Self-Interaction and Strong Correlation in DFTB. J. Phys. Chem. A 111, p. 5671. Fulltext not available.

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