Density-functional thermochemistry. I: The effect of the exchange-only gradient correction
- Author
- BECKE, A. D
Queen's univ., dep. chemistry, Kingston ON K7L 3N6, Canada - Source
The Journal of chemical physics. 1992, Vol 96, Num 3, pp 2155-2160 ; ref : 31 ref
- CODEN
- JCPSA6
- ISSN
- 0021-9606
- Scientific domain
- Atomic molecular physics; Condensed state physics; Polymers, paint and wood industries
- Publisher
- American Institute of Physics, Woodbury, NY
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Approximation densité spin locale Energie atomisation Etude théorique Fonctionnelle densité Molécule
- Keyword (en)
- Local spin density approximation Atomization energy Theoretical study Density functional Molecules
- Keyword (es)
- Aproximación densidad espin local Energía atomización Estudio teórico Funciónal densidad Molécula
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) / 001B30A15E Density-functional theory
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5143579
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
10.1063/1.462066 
https://dx.doi.org/10.1063/1.462066
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