Ab initio study of the electronioc states of O-2 in vacuo and in simulated ionic solids
- Author
- EWIG, C. S; TELLINGHUISEN, J
Vanderbilt univ., dep. chemistry, Nashville TN 37235, United States - Source
The Journal of chemical physics. 1991, Vol 95, Num 2, pp 1097-1106 ; ref : 55 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)
- Composé minéral Constante moléculaire Energie totale Etat fondamental Etat gazeux Etat solide Etat électronique excité Etude théorique Hyperoxyde Ion Ion négatif Molécule diatomique Méthode CI Méthode MC SCF Méthode ab initio Simulation ordinateur Structure électronique
- Keyword (en)
- Inorganic compound Molecular constant Total energy Ground state Gaseous state Solid state Electronically excited state Theoretical study Hyperoxides Ions Negative ion Diatomic molecule CI method MC SCF method Ab initio method Computer simulation Electronic structure
- Keyword (es)
- Compuesto inorgánico Constante molecular Energía total Estado fundamental Estado gaseoso Estado sólido Estado electrónico excitado Estudio teórico Hiperóxido Ión Ión negativo Molécula diatómica Método CI Método MC SCF Método ab initio Simulación computadora Estructura electrónica
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A25 Electron correlation calculations for atoms and molecules
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 4983568
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
10.1063/1.461139 
https://dx.doi.org/10.1063/1.461139
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