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Revisiting the GW approach to d- and f-electron oxides 期刊论文
PHYSICAL REVIEW B, 2018, 卷号: 97, 期号: 24
作者:  Jiang, Hong
收藏  |  浏览/下载:12/0  |  提交时间:2019/04/09
Description of light-element magnetic systems via density functional theory plus U with an example system of fluorinated boron nitride: An efficient alternative to hybrid functional approach 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 146, 页码: 84-89
作者:  Li, Wanxue;  Xin, Xiaojun;  Wang, Hongyan;  Guo, Chunsheng;  Jiang, Hong
收藏  |  浏览/下载:43/0  |  提交时间:2019/04/09
Theoretical investigation of structural, mechanical and electronic properties of GaAs1-xNx alloys under ambient and high pressure 期刊论文
Physica B: Condensed Matter, 2017, 卷号: 526, 页码: 1-6
作者:  Li J(李健);  Han XX(韩修训);  Dong C(董琛);  Fan, Changzeng;  Han XX(韩修训)
收藏  |  浏览/下载:110/0  |  提交时间:2017/12/18
A small shoulder of optical absorption in polycrystalline HfO2 by LDA + U approach 期刊论文
SOLID STATE COMMUNICATIONS, 2016, 卷号: 244, 页码: 28-32
作者:  Qin, LY;  Li, JP;  Meng, SH;  Lu, HT;  Tohyama, T
收藏  |  浏览/下载:3/0  |  提交时间:2017/01/13
The local projection in the density functional theory plus U approach: A critical assessment 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016
Wang, Yue-Chao; Chen, Ze-Hua; Jiang, Hong
收藏  |  浏览/下载:4/0  |  提交时间:2017/12/03
FHI-gap: A GW code based on the all-electron augmented plane wave method 期刊论文
计算机物理学通讯, 2013
Jiang, Hong; Gomez-Abal, Ricardo I.; Li, Xin-Zheng; Meisenbichler, Christian; Ambrosch-Draxl, Claudia; Scheffler, Matthias
收藏  |  浏览/下载:3/0  |  提交时间:2015/11/11
3d-4f Magnetic Interaction with Density Functional Theory Plus U Approach: Local Coulomb Correlation and Exchange Pathways 期刊论文
journal of physical chemistry a, 2013
Zhang, Yachao; Yang, Yang; Jiang, Hong
收藏  |  浏览/下载:3/0  |  提交时间:2015/11/10
Electronic structures and mechanical properties of uranium monocarbide from first-principles lda plus u and gga plus u calculations 期刊论文
Physics letters a, 2009, 卷号: 373, 期号: 39, 页码: 3577-3581
作者:  Shi, Hongliang;  Zhang, Ping;  Li, Shu-Shen;  Sun, Bo;  Wang, Baotian
收藏  |  浏览/下载:13/0  |  提交时间:2019/05/12
Electronic structures and mechanical properties of uranium monocarbide from first-principles LDA plus U and GGA plus U calculations 期刊论文
physics letters a, 2009
Shi, Hongliang; Zhang, Ping; Li, Shu-Shen; Sun, Bo; Wang, Baotian
收藏  |  浏览/下载:2/0  |  提交时间:2015/11/12
Electronic structures and mechanical properties of uranium monocarbide from first-principles LDA plus U and GGA plus U calculations 期刊论文
physics letters a, 2009, 卷号: 373, 期号: 39, 页码: 3577-3581
Shi HL; Zhang P; Li SS; Sun B; Wang BT
收藏  |  浏览/下载:54/1  |  提交时间:2010/03/08


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