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| Molecular Magnets with Density Functional Theory plus U Approach 其他 2013-01-01 Yachao Zhang; Hong Jiang 收藏  |  浏览/下载:3/0  |  提交时间:2017/12/03
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| Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations 其他 2013-01-01 Cai, Yunfeng; Bai, Zhaojun; Pask, John E.; Sukumar, N. 收藏  |  浏览/下载:3/0  |  提交时间:2015/11/10
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| Quantum hydrodynamic model of density functional theory 其他 2013-01-01 Cai, Zhenning; Fan, Yuwei; Li, Ruo; Lu, Tiao; Yao, Wenqi 收藏  |  浏览/下载:3/0  |  提交时间:2015/11/10
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| 基于软硬酸碱理论的单分散中重稀土硫氧化物纳米板的可控合成 其他 2013-01-01 顾均; 丁祎; 柯俊; 张亚文; 严纯华 收藏  |  浏览/下载:6/0  |  提交时间:2015/10/23
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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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| The electronic properties of ultra-narrow armchair MoS2 nanoribbons 其他 2013-01-01 Xin, Zheng; Zeng, Lang; Lu, Ziqing; Hou, Yi; Liu, Lifeng; Kang, Jinfeng; Du, Gang; Liu, Xiaoyan 收藏  |  浏览/下载:3/0  |  提交时间:2015/11/13 |
| 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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