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北京大学 [4]
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期刊论文 [11]
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physics [1]
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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
Dft Plus u
Hybrid Functionals
Light-element Magnets
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
First-principles Calculations
Gaas1-xnx Alloys
High Pressure
Dilute Nitrides
n Concentration
Band Gap
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
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  |  
浏览/下载:3/0
  |  
提交时间:2017/01/13
HfO2
LDA plus U approach
The optical properties
The shoulder-like structure
The shortest bond-length
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
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  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
STRONGLY CORRELATED SYSTEMS
NARROW ENERGY-BANDS
MEAN-FIELD THEORY
PLANE-WAVE BASIS
ELECTRONIC-STRUCTURE
LDA+U METHOD
SPECTRA
IMPLEMENTATION
INSULATORS
TRANSITION
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
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  |  
浏览/下载:3/0
  |  
提交时间:2015/11/11
Many-body perturbation theory
GW approach
LAPW method
Quasi-particles
BRILLOUIN-ZONE INTEGRATIONS
DENSITY-FUNCTIONAL THEORY
SPACE-TIME METHOD
LATTICE SUMS
LDA+U METHOD
SELF-ENERGY
EXCHANGE
SEMICONDUCTORS
SYSTEMS
SOLIDS
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
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  |  
浏览/下载:3/0
  |  
提交时间:2015/11/10
TRANSITION-METAL-COMPLEXES
TOTAL-ENERGY CALCULATIONS
SINGLE-MOLECULE-MAGNET
AB-INITIO CALCULATIONS
AUGMENTED-WAVE METHOD
COUPLING-CONSTANTS
ELECTRONIC-STRUCTURE
LDA+U METHOD
PBE0 MODEL
HUBBARD-U
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
First-principle calculation
Lda plus u
Gga plus u
Elastic constants
Phonon dispersion
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
First-principle calculation
LDA plus U
GGA plus U
Elastic constants
Phonon dispersion
BRILLOUIN-ZONE INTEGRATIONS
NIO
DENSITY
DYNAMICS
SPECTRA
METALS
LSDA+U
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
First-principle calculation
LDA plus U
GGA plus U
Elastic constants
Phonon dispersion
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