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When the Density of the Noninteracting Reference System is not the Density of the Physical System in Density Functional Theory ()

A major challenge in density functional theory (DFT) is the development of density functional approximations (DFAs) to overcome errors in existing DFA, leading to more complex functionals. For such functionals, we consider roles of the noninteracting reference systems. The electron density of the Ko...

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Bibliografski detalji
Izdano u:Faraday Discuss
Glavni autori: Jin, Ye, Su, Neil Qiang, Chen, Zehua, Yang, Weitao
Format: Artigo
Jezik:Inglês
Izdano: 2020
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7746600/
https://ncbi.nlm.nih.gov/pubmed/33084699
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0fd00102c
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