Optimized and transferable densities from first-principles local density calculations
- Author
- CHETTY, N; JACOBSEN, K. W; NØRSKOV, J. K
Tech. univ. Denmark, lab. applied physics, Lyngby 2800, Denmark - Source
Journal of physics. Condensed matter (Print). 1991, Vol 3, Num 28, pp 5437-5443 ; ref : 17 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)
- Aluminium Approximation densité locale Densité électron Effet écran Energie totale Etude théorique Gaz électron Modèle milieu effectif Méthode ab initio Méthode pseudopotentiel Optimisation Oscillation Structure électronique Surface Théorème point fixe
- Keyword (en)
- Aluminium Local density approximation Electron density Shielding effect Total energy Theoretical study Electron gas Effective medium model Ab initio method Pseudopotential method Optimization Oscillation Electronic structure Surface Fixed point theorem
- Keyword (es)
- Aluminio Aproximación densidad local Densidad electrón Efecto pantalla Energía total Estudio teórico Gas electrón Modelo medio efectivo Método ab initio Método seudopotencial Optimización Oscilación Estructura electrónica Superficie Teorema punto fijo
- Keyword (de)
- Aluminium Elektronendichte Abschirmwirkung Theoretische Untersuchung Elektronengas Optimierung Elektronenstruktur Oberflaeche
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70C Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures / 001B70C20 Surface and interface electron states
- Discipline
- Metals. Metallurgy Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 4958817
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
10.1088/0953-8984/3/28/018 
https://dx.doi.org/10.1088/0953-8984/3/28/018
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