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Total energy equation leading to exchange-correlation functional 期刊论文
Science China-Physics Mechanics & Astronomy, 2015, 卷号: 58, 期号: 5, 页码: 54601
Authors:  Liu F(刘峰);  Wang ZQ(王自强);  Wang, TC (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
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Density-functional Theory  Exchange-correlation Functional  Bulk Modulus  Band Structure  Aluminum  Silicon