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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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| 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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| Exact two-component relativistic theory for NMR parameters: General formulation and pilot application 期刊论文
journal of chemical physics, 2012
Sun, Qiming; Xiao, Yunlong; Liu, Wenjian
收藏 | 浏览/下载：4/0 | 提交时间：2015/11/12
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| Spin-adapted open-shell random phase approximation and time-dependent density functional theory. I. Theory 期刊论文
journal of chemical physics, 2010
Li, Zhendong; Liu, Wenjian
收藏 | 浏览/下载：4/0 | 提交时间：2015/11/12
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| Four-component relativistic theory for nuclear magnetic shielding: Magnetically balanced gauge-including atomic orbitals 期刊论文
journal of chemical physics, 2009
Cheng, Lan; Xiao, Yunlong; Liu, Wenjian
收藏 | 浏览/下载：8/0 | 提交时间：2015/11/12
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| Making four- and two-component relativistic density functional methods fully equivalent based on the idea of "from atoms to molecule" 期刊论文
journal of chemical physics, 2007
Peng, Daoling; Liu, Wenjian; Xiao, Yunlong; Cheng, Lan
收藏 | 浏览/下载：2/0 | 提交时间：2015/11/11
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| A novel infinite-order quasirelativistic density functional theory 其他
2006-01-01
Liu, Wenjian; Peng, Daoling
收藏 | 浏览/下载：3/0 | 提交时间：2015/11/13
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| Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory 期刊论文
journal of chemical physics, 2006
Liu, Wenjian; Peng, Daoling
收藏 | 浏览/下载：4/0 | 提交时间：2015/11/10
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| Density functional calculations of large systems containing heavy elements by means of the regionalization algorithm 期刊论文
中国科学b辑 化学英文版, 2004
Hu, XQ; Li, LM
收藏 | 浏览/下载：4/0 | 提交时间：2015/11/12
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| Time-dependent four-component relativistic density functional theory for excitation energies 期刊论文
journal of chemical physics, 2004
Gao, J; Liu, WJ; Song, B; Liu, CB
收藏 | 浏览/下载：1/0 | 提交时间：2015/11/10
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