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]

Abstract

Abstract is missing.