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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
作者:  Cao PY(曹沛宇);  Fang J;  Gao XY;  Tian FY;  Song HF
Adobe PDF(1650Kb)  |  收藏  |  浏览/下载：212/33  |  提交时间：2021/02/09
first principles  Korringa-Kohn-Rostoker (KKR)  multiple scattering theory (MST)  full potential  elastic constants  
Nano-confined crystallization of organic ultrathin nanostructure arrays with programmable geometries 期刊论文
NATURE COMMUNICATIONS, 2019, 卷号: 10, 页码: 8
作者:  Gao, HF;  Qiu, YC;  Feng, JG;  Li S(李爽);  Wang, HJ;  Zhao, YY;  Wei, X;  Jiang, XY;  Su YW(苏业旺);  Wu, YC;  Jiang, L
浏览  |  Adobe PDF(3497Kb)  |  收藏  |  浏览/下载：464/76  |  提交时间：2019/10/21