Parallel implementation of efficient charge-charge interaction evaluation scheme in periodic divide-and-conquer density-functional tight-binding calculations
© 2017 Wiley Periodicals, Inc.
| Publié dans: | Journal of computational chemistry. - 1984. - 39(2018), 2 vom: 15. Jan., Seite 105-116 |
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| Auteur principal: | |
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| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2018
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article density-functional tight-binding method divide-and-conquer method massively parallel calculation multipole expansion periodic boundary condition |
| Accès en ligne |
Volltext |