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Fang J [1]
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Tests on the Accuracy and Scalability of the Full-Potential DFT Method Based on Multiple Scattering Theory
期刊论文
FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 590047
Authors:
Cao PY(曹沛宇)
;
Fang J
;
Gao XY
;
Tian FY
;
Song HF
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Submit date：2021/02/09
first principles
Korringa-Kohn-Rostoker (KKR)
multiple scattering theory (MST)
full potential
elastic constants
