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10.1063/1.5143190
2020-03-23
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
aip.org
© 2020 Author(s)
10.1063/1.5143190
https://doi.org/10.1063/1.5143190
VoR
doi:10.1063/1.5143190
The Journal of Chemical Physics
application/pdf
AIP Publishing, LLC
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
B. Hourahine
B. Aradi
V. Blum
F. Bonafé
A. Buccheri
C. Camacho
C. Cevallos
M. Y. Deshaye
T. Dumitrică
A. Dominguez
S. Ehlert
M. Elstner
T. van der Heide
J. Hermann
S. Irle
J. J. Kranz
C. Köhler
T. Kowalczyk
T. Kubař
I. S. Lee
V. Lutsker
R. J. Maurer
S. K. Min
I. Mitchell
C. Negre
T. A. Niehaus
A. M. N. Niklasson
A. J. Page
A. Pecchia
G. Penazzi
M. P. Persson
J. Řezáč
C. G. Sánchez
M. Sternberg
M. Stöhr
F. Stuckenberg
A. Tkatchenko
V. W.-z. Yu
T. Frauenheim
J. Chem. Phys. 2020.152:124101
2020-03-23
true
10.1063/1.5143190
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