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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.
J Chem Phys. 2020.
PMID: 32241125
Free article.
Erratum: "DFTB+, a software package for efficient approximate density functional theory based atomistic simulations" [J. Chem. Phys. 152, 124101 (2020)].
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, Jakowski J, 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.
Hourahine B, et al. Among authors: stuckenberg f.
J Chem Phys. 2022 Jul 21;157(3):039901. doi: 10.1063/5.0103026.
J Chem Phys. 2022.
PMID: 35868926
No abstract available.
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