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

Kapil Adhikari, Aurab Chakrabarty, Othmane Bouhali, Normand Mousseau, Charlotte S. Becquart, Fedwa El-Mellouhi. vs. localized orbital basis set methods in DFT modeling of metal surface: a case study for Fe-(110). J. Comput. Science, 29:163-167, 2018. [doi]

Authors

Kapil Adhikari

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Aurab Chakrabarty

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Othmane Bouhali

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Normand Mousseau

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Charlotte S. Becquart

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Fedwa El-Mellouhi

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