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Density functional theory in the solid state

Density functional theory (DFT) has been used in many fields of the physical sciences, but none so successfully as in the solid state. From its origins in condensed matter physics, it has expanded into materials science, high-pressure physics and mineralogy, solid-state chemistry and more, powering...

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Detalhes bibliográficos
Main Authors: Hasnip, Philip J., Refson, Keith, Probert, Matt I. J., Yates, Jonathan R., Clark, Stewart J., Pickard, Chris J.
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society Publishing 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3928868/
https://ncbi.nlm.nih.gov/pubmed/24516184
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsta.2013.0270
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