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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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