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中国科学院数学与系统科学研究院机构知识库
KMS Of Academy of mathematics and systems sciences, CAS
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First-principles investigation of monatomic gold wires under tension
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 171, 页码: 7
Authors:
He, Lianhua
;
Liu, Fang
;
Li, Ju
;
Rignanese, Gian-Marco
;
Zhou, Aihui
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View/Download:92/0
  |  
Submit date:2020/05/24
First-principles calculations
Gold nanowires
Phonons
Kohn anomalies
Peierls instability
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
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View/Download:99/0
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Submit date:2018/07/30
Density functional theory
Electronic structure
Plane-wave
Parallel orbital-updating