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What is the optimal mGGA exchange functional for solids?
Kovács, Péter; Tran, Fabien; Blaha, Peter; Madsen, Georg K H.
Affiliation
  • Kovács P; Institute of Materials Chemistry, Technical University of Vienna, Getreidemarkt 9/165-TC, A-1060 Vienna, Austria.
  • Tran F; Institute of Materials Chemistry, Technical University of Vienna, Getreidemarkt 9/165-TC, A-1060 Vienna, Austria.
  • Blaha P; Institute of Materials Chemistry, Technical University of Vienna, Getreidemarkt 9/165-TC, A-1060 Vienna, Austria.
  • Madsen GKH; Institute of Materials Chemistry, Technical University of Vienna, Getreidemarkt 9/165-TC, A-1060 Vienna, Austria.
J Chem Phys ; 157(9): 094110, 2022 Sep 07.
Article in En | MEDLINE | ID: mdl-36075720
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Full text: 1 Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Chem Phys Year: 2022 Type: Article Affiliation country: Austria
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Full text: 1 Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Chem Phys Year: 2022 Type: Article Affiliation country: Austria