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noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique

The treatment of van der Waals interactions in density functional theory is an important field of ongoing research. Among different approaches developed recently to capture these non-local interactions, the van der Waals density functional (vdW-DF) developed in the groups of Langreth and Lundqvist i...

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Detalhes bibliográficos
Main Authors: Nabok, Dmitrii, Puschnig, Peter, Ambrosch-Draxl, Claudia
Formato: Artigo
Idioma:Inglês
Publicado em: North-Holland Pub. Co 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3149285/
https://ncbi.nlm.nih.gov/pubmed/21822326
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cpc.2011.04.015
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