Unified approach for molecular dynamics and density-functional theory
- Auteur
- CAR, R; PARRINELLO, M
International school advanced studies - Source
Physical review letters. 1985, Vol 55, Num 22, pp 2471-2474 ; ref : 13 ref
- CODEN
- PRLTAO
- ISSN
- 0031-9007
- Domaine scientifique
- Optics; Atomic molecular physics; Condensed state physics; Physics; Plasma physics
- Editeur
- American Physical Society, Ridge, NY
- Pays de publication
- United States
- Type de document
- Article
- Langue
- English
- Mot clé (fr)
- Energie totale Etude théorique Fonctionnelle densité Métal Méthode calcul Méthode dynamique moléculaire Paramètre cristallin Pseudopotentiel Semiconducteur Silicium Structure électronique
- Mot clé (en)
- Total energy Theoretical study Density functional Metal Calculating method Molecular dynamics method Lattice parameters Pseudopotential Semiconductor materials Silicon Electronic structure
- Mot clé (es)
- Metal Semiconductor(material) Estructura electronica
- Classification
- Pascal
- 001 Sciences exactes et technologie / 001B Physique / 001B70 Etat condense: structure electronique, proprietes electriques, magnetiques et optiques / 001B70A Etats électroniques / 001B70A10 Théories et modèles des systèmes à n électrons
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Provenance
- Inist-CNRS
- Base de données
- PASCAL
- Identifiant INIST
- 8758100
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
10.1103/PhysRevLett.55.2471 
https://dx.doi.org/10.1103/PhysRevLett.55.2471
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