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Meta-Local Density Functionals: A New Rung on Jacob’s Ladder

[Image: see text] The homogeneous electron gas (HEG) is a key ingredient in the construction of most exchange-correlation functionals of density-functional theory. Often, the energy of the HEG is parameterized as a function of its spin density n(σ), leading to the local density approximation (LDA) f...

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Pubblicato in:J Chem Theory Comput
Autori principali: Lehtola, Susi, Marques, Miguel A. L.
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2021
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC8023657/
https://ncbi.nlm.nih.gov/pubmed/33502183
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c01147
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