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| Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory 其他 2013-01-01 Lin, Lin; Shao, Sihong; Weinan, E. 收藏  |  浏览/下载:6/0  |  提交时间:2015/11/11
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| Linear Scaling Discontinuous Galerkin Density Matrix Minimization Method with Local Orbital Enriched Finite Element Basis: 1-D Lattice Model System 其他 2013-01-01 Lu, Tiao; Cai, Wei; Xin, Jianguo; Guo, Yinglong 收藏  |  浏览/下载:2/0  |  提交时间:2015/11/13
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| On the delithiation mechanism of Li2FeSiO4-ySy compounds: A first-principles investigation 其他 2013-01-01 Li, Yunsong; Cheng, Xuan; Zhang, Ying; 程璇 收藏  |  浏览/下载:15/0  |  提交时间:2015/07/22
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| Theoretical investigation on the transition-metal borides with Ta3B4-type structure: A class of hard and refractory materials 其他 2011-02-01 Miao, Naihua; Sa, Baisheng; Zhou, Jian; Sun, Zhimei; 周健; 孙志梅 收藏  |  浏览/下载:5/0  |  提交时间:2015/07/22
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| Structural and electronic properties of c-BC2N supper hard material: An ab initio study 其他 2011-01-01 Zheng, Yongping; Wei, Ning; Fan, Zheyong; Xu, Lanqing; Huang, Zhigao; 郑勇平; 樊哲勇 收藏  |  浏览/下载:7/0  |  提交时间:2015/07/22
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| Ab initio study on hexagonal Ge2Sb2Te5-a phase-change material for nonvolatile memories 其他 2011-01-01 Sun, Zhimei; Pan, Yuanchun; Sa, Baisheng; Zhou, Jian; 孙志梅; 周健 收藏  |  浏览/下载:5/0  |  提交时间:2015/07/22
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| First-principles calculations of the structural stability of Fe 2P 其他 2010-01-01 Wu, Xiang; Qin, Shan 收藏  |  浏览/下载:2/0  |  提交时间:2015/11/13 |
| An adaptive moving mesh method for two-dimensional ideal magnetohydrodynamics 其他 2007-01-01 Han, Jianqiang; Tang, Huazhong 收藏  |  浏览/下载:2/0  |  提交时间:2015/11/12
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| 密度泛函计算条件对结果精度的影响 其他 2001-01-01 莫依; 黎乐民 收藏  |  浏览/下载:3/0  |  提交时间:2015/10/24
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