Indirect nuclear spin-spin coupling constants from multiconfiguration linear response theory
- Author
- VAHTRAS, O1 ; AGREN, H; JØRGENSEN, P; AA, J. H; PADKJÆR, S. B; HELGAKER, T
[1] Uppsala univ., dep. quantum chemistry, 751 20 Uppsala, Sweden - Source
The Journal of chemical physics. 1992, Vol 96, Num 8, pp 6120-6125 ; ref : 19 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 Composé organique Constante couplage spin spin Corrélation électronique Couplage spin orbite Espèce isotopique Etude théorique Hydrocarbure Hydrogène Molécule Interaction contact Fermi Molécule diatomique Méthane Méthode MC SCF Théorie réponse linéaire
- Keyword (en)
- Inorganic compound Organic compounds Spin spin coupling constant Electron correlation LS coupling Isotopic species Theoretical study Hydrocarbon Hydrogen Molecules Fermi contact interaction Diatomic molecule Methane MC SCF method Linear response theory
- Keyword (es)
- Compuesto inorgánico Compuesto orgánico Constante acoplamiento spin spin Correlación electrónica Acoplamiento spin órbita Especie isotópica Estudio teórico Hidrocarburo Hidrógeno Molécula Interacción contacto Fermi Molécula diatómica Metano Método MC SCF Teoría repuesta lineal
- 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
- 5249795
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
10.1063/1.462654 
https://dx.doi.org/10.1063/1.462654
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