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

Lin Lin, Jianfeng Lu, Lexing Ying, Weinan E. Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation. J. Comput. Physics, 231(4):2140-2154, 2012. [doi]

Abstract

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