A grid-based Bader analysis algorithm without lattice bias
- Author
- TANG, W1 ; SANVILLE, E2 ; HENKELMAN, G1
[1] Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, TX 78712-0165, United States
[2] Department of Mathematical Sciences, Loughborough University, Loughborough LE11 3TU, United Kingdom - Issue title
- Special Issue on Computational Methodologies for Designing Materials
- Author (monograph)
- RAHMAN, Talat S (Editor)1
[1] Department of Physics, University of Central Florida, United States - Source
Journal of physics. Condensed matter (Print). 2009, Vol 21, Num 8 ; 084204.1-084204.7 ; ref : 25 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)
- Densité charge Loi échelle Méthode fonctionnelle densité Méthodologie Onde plane Orientation moléculaire Partitionnement
- Keyword (en)
- Charge density Scaling laws Density functional method Methodology Plane waves Molecular orientation Partitioning
- Keyword (es)
- Metodología Subdivisión
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A15 Methods of electronic structure calculations
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 21212403
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
10.1088/0953-8984/21/8/084204 
https://dx.doi.org/10.1088/0953-8984/21/8/084204
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