Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
- Author
- KRESSE, G1 ; FURTHMÜLLER, J2
[1] Institut für Theoretische Physik, Technische Universität Wien, Wiedner Haupstrasse S-10, 1040 Wien, Austria
[2] Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, 07743 Jena, Germany - Source
Computational materials science. 1996, Vol 6, Num 1, pp 15-50 ; ref : 64 ref
- ISSN
- 0927-0256
- Scientific domain
- Condensed state physics
- Publisher
- Elsevier Science, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Keyword (fr)
- Algorithme Calcul ab initio Energie totale Etude théorique Onde plane Pseudopotentiel Structure électronique
- Keyword (en)
- Algorithms Ab initio calculations Total energy Theoretical study Plane waves Pseudopotential Electronic structure
- Keyword (es)
- Energía total
- 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
- 3187068
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
10.1016/0927-0256(96)00008-0 
https://dx.doi.org/10.1016/0927-0256(96)00008-0
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