Record link: 
http://hdl.handle.net/20.500.12708/139323
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Title: 
What is the optimal mGGA exchange functional for solids?
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Citation: 
Kovács, P., Tran, F., Blaha, P., & Madsen, G. K. H. (2022). What is the optimal mGGA exchange functional for solids? Journal of Chemical Physics, 157(9), 094110. https://doi.org/10.1063/5.0098787
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Publisher DOI: 
10.1063/5.0098787
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Publication Type: 
Article - Original Research Article
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Language: 
English
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Authors: 
Kovács, Péter 
Tran, Fabien 
Blaha, Peter 
Madsen, Georg K H 
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Organisational Unit: 
E165-03-1 - Forschungsgruppe Theoretische Materialchemie 
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Journal: 
Journal of Chemical Physics 
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ISSN: 
0021-9606
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Date (published): 
2-Sep-2022
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Number of Pages: 
8
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Publisher: 
AMER INST PHYSICS
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Peer reviewed: 
Yes
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Keywords: 
generalized gradient approximation; meta-GGA; mGGA
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Research Areas: 
Quantum Modeling and Simulation: 20%
Materials Characterization: 40%
Computational Materials Science: 40%
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Science Branch: 
1040 - Chemie: 100%
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