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A parallel orbital-updating based optimization method for electronic structure calculations 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2021, 卷号: 445, 页码: 17
Authors:  Dai, Xiaoying;  Liu, Zhuang;  Zhang, Xin;  Zhou, Aihui
Favorite  |  View/Download：56/0  |  Submit date：2022/04/02
Density functional theory  Electronic structure calculations  Kohn-Sham energy functional minimization problem  Parallel orbital-updating  Optimization method  
A parallel orbital-updating based plane-wave basis method for electronic structure calculations 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2017, 卷号: 348, 页码: 482-492
Authors:  Pan, Yan;  Dai, Xiaoying;  de Gironcoli, Stefano;  Gong, Xin-Gao;  Rignanese, Gian-Marco;  Zhou, Aihui
Favorite  |  View/Download：82/0  |  Submit date：2018/07/30
Density functional theory  Electronic structure  Plane-wave  Parallel orbital-updating