Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation

作者: Lin Lin , Jianfeng Lu , Lexing Ying , Weinan E

DOI: 10.1016/J.JCP.2011.11.032

关键词:

摘要: … The grid on Q k is simply the restriction of the uniform grid of Ω on Q k . This is due to the consideration that all quantities on Q k are treated as periodic and hence a uniform grid is the …

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