Cite
Hourahine B, Aradi B, Blum V, et al. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations. J Chem Phys. 2020;152(12):124101doi: 10.1063/1.5143190.
Hourahine, B., Aradi, B., Blum, V., Bonafé, F., Buccheri, A., Camacho, C., Cevallos, C., Deshaye, M. Y., Dumitrică, T., Dominguez, A., Ehlert, S., Elstner, M., van der Heide, T., Hermann, J., Irle, S., Kranz, J. J., Köhler, C., Kowalczyk, T., Kubař, T., Lee, I. S., Lutsker, V., Maurer, R. J., Min, S. K., Mitchell, I., Negre, C., Niehaus, T. A., Niklasson, A. M. N., Page, A. J., Pecchia, A., Penazzi, G., Persson, M. P., Řezáč, J., Sánchez, C. G., Sternberg, M., Stöhr, M., Stuckenberg, F., Tkatchenko, A., Yu, V. W., & Frauenheim, T. (2020). DFTB+, a software package for efficient approximate density functional theory based atomistic simulations. The Journal of chemical physics, 152(12), 124101. https://doi.org/10.1063/1.5143190
Hourahine, B, et al. "DFTB+, a software package for efficient approximate density functional theory based atomistic simulations." The Journal of chemical physics vol. 152,12 (2020): 124101. doi: https://doi.org/10.1063/1.5143190
Hourahine B, Aradi B, Blum V, Bonafé F, Buccheri A, Camacho C, Cevallos C, Deshaye MY, Dumitrică T, Dominguez A, Ehlert S, Elstner M, van der Heide T, Hermann J, Irle S, Kranz JJ, Köhler C, Kowalczyk T, Kubař T, Lee IS, Lutsker V, Maurer RJ, Min SK, Mitchell I, Negre C, Niehaus TA, Niklasson AMN, Page AJ, Pecchia A, Penazzi G, Persson MP, Řezáč J, Sánchez CG, Sternberg M, Stöhr M, Stuckenberg F, Tkatchenko A, Yu VW, Frauenheim T. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations. J Chem Phys. 2020 Mar 31;152(12):124101. doi: 10.1063/1.5143190. PMID: 32241125.
Copy
Download .nbib