Parallelization of the variational fitting of the Coulomb potential
The parallelization of the three center electron repulsion integrals arising from the variational fitting of the Coulomb potential is presented. A scheme for dynamical load balancing of the corresponding loop structure is discussed. The implementation in the densityn functional theory program deMon...
Guardat en:
| Publicat a: | Superficies y vacío |
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| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Sociedad Mexicana de Ciencia y Tecnología de Superficies y Materiales A.C.
2005
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| Matèries: | |
| Accés en línia: | https://www.redalyc.org/articulo.oa?id=94218101 |
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