Ab initio molecular dynamics: basic concepts, current trends and novel applications
- Author
- TUCKERMAN, Mark E1
[1] Department of Chemistry and Courant Institute of Mathematical Sciences, New York University, NY 10003, United States - Source
Journal of physics. Condensed matter (Print). 2002, Vol 14, Num 50, pp R1297-R1355 ; ref : 279 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
- Article
- Language
- English
- Keyword (fr)
- Approximation Born Oppenheimer Calcul ab initio Conductivité protonique Effet quantique Etat excité Etude théorique Méthode dynamique moléculaire Méthode fonctionnelle densité Structure électronique Structure état liquide algorithme Car-Parrinello
- Keyword (en)
- Born-Oppenheimer approximation Ab initio calculations Proton conductivity Quantum effect Excited states Theoretical study Molecular dynamics method Density functional method Electronic structure Liquid structure Car-Parrinello algorithm
- Keyword (es)
- Conductividad protónica Efecto cuántico
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A10 Theories and models of many electron systems
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 14393423
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
10.1088/0953-8984/14/50/202 
https://dx.doi.org/10.1088/0953-8984/14/50/202
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