Accuracy of counterpoise corrections in second-order intermolecular potential calculations. I: helium dimer
- Author
- IA-AN YANG; KESTNER, N. R
Louisiana state univ., dep. chemistry, Baton Rouge LA 70803-1804, United States - Source
Journal of physical chemistry (1952). 1991, Vol 95, Num 23, pp 9214-9220 ; ref : 53 ref
- CODEN
- JPCHAX
- ISSN
- 0022-3654
- Scientific domain
- General chemistry, physical chemistry; Metallurgy, welding; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Composé minéral Courbe potentiel Dimère Energie corrélation Energie totale Estimation erreur Etude théorique Gaz rare Molécule Hélium Molécule Molécule diatomique Méthode superposition Orbitale gaussienne contractée Orbitale localisée Ordre 2 Potentiel intermoléculaire
- Keyword (en)
- Inorganic compound Potential energy curve Dimer Correlation energy Total energy Error estimation Theoretical study Noble gas Molecules Helium Molecules Diatomic molecule Superposition method Contracted gaussian orbital Localized orbital Second order Intermolecular potential
- Keyword (es)
- Compuesto inorgánico Curva potencial Dímero Energía correlación Energía total Estimación error Estudio teórico Gás noble Molécula Helio Molécula Molécula diatómica Método superposición Orbital gaussiano contractado Orbital localizado Orden 2 Potencial intermolecular
- 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
- 5219954
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
10.1021/j100176a035 
https://dx.doi.org/10.1021/j100176a035
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