DFTB+, a software package for efficient approximate density...

The Journal of Chemical Physics 2020 / 03 Vol. 152; Iss. 12

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

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,
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Volume:
152
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.5143190
Date:
March, 2020
File:
PDF, 2.82 MB
english, 2020
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