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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
Structural, electronic, and thermodynamic properties of curium dioxide: density functional theory calculations 期刊论文
Physical review b, 2017, 卷号: 96, 期号: 23, 页码: 13
作者:  Hou, Ling;  Li, Wei-Dong;  Wang, Fangwei;  Eriksson, Olle;  Wang, Bao-Tian
收藏  |  浏览/下载:33/0  |  提交时间:2019/04/23
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
Structural, electronic, and thermodynamic properties of curium dioxide: Density functional theory calculations 期刊论文
PHYSICAL REVIEW B, 2017, 卷号: 96, 期号: 23, 页码: 235137
作者:  Hou, Ling;  Hou L(侯玲);  Eriksson, Olle;  Wang, Bao-Tian;  Wang BT(王保田)
收藏  |  浏览/下载:13/0  |  提交时间:2019/08/27
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
LDA plus U/GGA plus U calculations of structural and electronic properties of CdTe: Dependence on the effective U parameter 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2015, 卷号: 98, 期号: [db:dc_citation_issue], 页码: 18-23
作者:  Wu, Yelong;  Chen, Guangde;  Zhu, Youzhang;  Yin, Wan-Jian;  Yan, Yanfa
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/02
Mechanical and thermodynamic properties of α-UH3 under pressure 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2014
作者:  Chao Zhang;  Hong Jiang;  Hong-Liang Shi;  Guo-Hua Zhong;  Yue-Hua Su
收藏  |  浏览/下载:15/0  |  提交时间:2015/09/01
LDA plus U calculation of structural and thermodynamic properties of Ce2O3 期刊论文
FRONTIERS OF PHYSICS, 2014, 卷号: Vol.9 No.4, 页码: 483-489
作者:  Zhu, B;  Cheng, Y;  Niu, ZW;  Zhou, M;  Gong, M
收藏  |  浏览/下载:2/0  |  提交时间:2019/02/25


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