Second-order perturbation theory with a complete active space self-consistent field reference function
- Author
- ANDERSSON, K; MALMQVIST, P.-A; ROOS, B. O
Chemical cent., dep. theoretical chemistry, Lund 221 00, Sweden - Source
The Journal of chemical physics. 1992, Vol 96, Num 2, pp 1218-1226 ; ref : 20 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)
- Application Azote Molécule Azote monoxyde Composé minéral Composé organique Energie dissociation Energie totale Etude théorique Fluor Ion atomique Hamiltonien Longueur liaison Molécule diatomique Méthode CAS SCF Oxygène Molécule Théorie perturbation Méthyle Méthylène
- Keyword (en)
- Application Nitrogen Molecules Nitrogen monoxide Inorganic compound Organic compounds Dissociation energy Total energy Theoretical study Fluorine Atomic ions Hamiltonian Bond length Diatomic molecule CAS SCF method Oxygen Molecules Perturbation theory
- Keyword (es)
- Aplicación Nitrógeno Molécula Nitrógeno monóxido Compuesto inorgánico Compuesto orgánico Energía disociación Energía total Estudio teórico Fluor Ión atómico Hamiltoniano Longitud enlace Molécula diatómica Método CAS SCF Oxígeno Molécula Teoría perturbación
- 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
- 5098039
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
10.1063/1.462209 
https://dx.doi.org/10.1063/1.462209
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