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localized orbital basis set methods in DFT modeling of metal surface: a case study for Fe-(110).

Kapil AdhikariAurab ChakrabartyOthmane BouhaliNormand MousseauCharlotte S. BecquartFedwa El-Mellouhi
Published in: J. Comput. Sci. (2018)
Keyphrases
  • machine learning
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  • machine learning methods