The Best DFT Functional Is the Ensemble of Functionals.
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| Title: | The Best DFT Functional Is the Ensemble of Functionals. |
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| Authors: | Rui Y; State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen, Fujian, 361005, China., Chen Y; State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen, Fujian, 361005, China., Ivanova E; Chair of Statistics, School of Business and Economics, Humboldt University of Berlin, Unter den Linden 6, 10099, Berlin, Germany., Kumar VB; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland., Śmiga S; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland., Grabowski I; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland., Dral PO; State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen, Fujian, 361005, China.; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland. |
| Source: | Advanced science (Weinheim, Baden-Wurttemberg, Germany) [Adv Sci (Weinh)] 2024 Dec; Vol. 11 (47), pp. e2408239. Date of Electronic Publication: 2024 Oct 25. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: WILEY-VCH Country of Publication: Germany NLM ID: 101664569 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2198-3844 (Electronic) Linking ISSN: 21983844 NLM ISO Abbreviation: Adv Sci (Weinh) Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 2198-3844 |
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| DOI: | 10.1002/advs.202408239 |
