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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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| 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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| Achieving high capacity by vanadium substitution into Li 2FeSiO4for Li ion battery 其他 2012-01-01 Li, Yunsong; Cheng, Xu; Zhang, Yi; 程璇; 张颖 收藏  |  浏览/下载:2/0  |  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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| EuB6的光电导率和能量损失函数谱的理论指认 其他 2008-01-01 姜骏; 卞江; 黎乐民 收藏  |  浏览/下载:5/0  |  提交时间:2015/10/24
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| Band Structure Calculations of Ge-Si Core-Shell Nanowires 其他 2008-01-01 He, Yuhui; Fan, Chun; Zhao, Yu Ning; Kang, Jinfeng; Liu, Xiao Yan; Han, Ruqi 收藏  |  浏览/下载:4/0  |  提交时间:2015/11/10
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| Theoretical study on photoinduced magnetization process: Possible meta-stable molecular structure for a photomagnetic high-spin molecule [Mo-IV(CN)(2)(CN-CuL)(6)](8+) 其他 2007-01-01 Wang, Bingwu; Wang, Mingwei; Chen, Zhida 收藏  |  浏览/下载:5/0  |  提交时间:2015/11/12
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| 大体系分区密度泛函计算方法 其他 2004-01-01 胡向前; 王繁; 黎乐民 收藏  |  浏览/下载:3/0  |  提交时间:2015/10/24
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