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Petascale orbital-free density functional theory enabled by small-box algorithms 期刊论文
Journal of Chemical Theory and Computation, 2016, 卷号: 12, 期号: 6, 页码: 2950-2963
Authors:  Mohan Chen;  Xiang-Wei Jiang;  Houlong Zhuang;  Lin-Wang Wang;  Emily A. Carter
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