Ab initio calculations for high-pressure phases of Ar(H2)2
- Author
- MATSUMOTO, Naoki1 ; NAGARA, Hitose1
[1] Division of Frontier Materials Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan - Conference title
- International Conference on Quantum Simulators and Design, Hiroshima, Japan, 3-6 December 2006
- Conference name
- QSD2006 : International Conference on Quantum Simulators and Design (1 ; Hiroshima 2006-12-03)
- Author (monograph)
- AKAI, Hisazumi (Editor)1 ; OGUCHI, Tamio (Editor)2
[1] Osaka University, Japan
[2] Hiroshima University, Japan - Source
Journal of physics. Condensed matter (Print). 2007, Vol 19, Num 36 ; 365237.1-365237.8 ; ref : 10 ref
- CODEN
- JCOMEL
- ISSN
- 0953-8984
- Scientific domain
- Crystallography; Metallurgy, welding; Condensed state physics
- Publisher
- Institute of Physics, Bristol
- Publication country
- United Kingdom
- Document type
- Conference Paper
- Language
- English
- Keyword (fr)
- Approximation densité locale Approximation gradient généralisé Argon hydrure Calcul ab initio Conduction métallique Dissociation moléculaire Effet pression Interaction échange Mode vibration Méthode fonctionnelle densité Transformation phase Ar(H2)2
- Keyword (en)
- Local density approximation Generalized gradient approximation Argon hydrides Ab initio calculations Metallic conduction Molecular dissociation Pressure effects Exchange interactions Vibrational modes Density functional method Phase transformations
- Keyword (es)
- Aproximación densidad local Conducción metálica Disociación molecular
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A20 Electron density of states and band structure of crystalline solids / 001B70A20P Other inorganic compounds
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 19101137
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1088/0953-8984/19/36/365237 
https://dx.doi.org/10.1088/0953-8984/19/36/365237
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