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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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Submit date：2015/06/11
Density-functional Theory
Exchange-correlation Functional
Bulk Modulus
Band Structure
Aluminum
Silicon
