A restricted active space (RAS) SCF study of the lifetime of the A3Π state of OH+
- Author
- MERCHAN, M; MALMQVIST, P.-A; ROOS, B. O
Chemical cent., dep. theoretical chemistry, Lund 221 00, Sweden - Source
Theoretica chimica acta. 1991, Vol 79, Num 2, pp 81-92 ; ref : 26 ref
- CODEN
- TCHAAM
- ISSN
- 0040-5744
- Scientific domain
- Atomic molecular physics
- Publisher
- Springer, Heidelberg
- Publication country
- Germany
- Document type
- Article
- Language
- English
- Keyword (fr)
- Cation minéral Composé minéral Constante moléculaire Constante rotation Durée vie Energie totale Etat électronique excité Etude théorique Interaction configuration Molécule diatomique Moment transition Méthode CAS SCF Orbitale gaussienne contractée Potentiel ionisation Transition dipolaire Hydroxylium Méthode RAS SCF
- Keyword (en)
- Inorganic cation Inorganic compound Molecular constant Rotational constant Lifetime Total energy Electronically excited state Theoretical study Configuration interaction Diatomic molecule Transition moment CAS SCF method Contracted gaussian orbital Ionization potential Dipolar transition RAS SCF method
- Keyword (es)
- Catión inorgánico Compuesto inorgánico Constante molecular Constante rotación Tiempo vida Energía total Estado electrónico excitado Estudio teórico Interacción configuración Molécula diatómica Momento transición Método CAS SCF Orbital gaussiano contractado Potencial de ionización Transición dipolar
- 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
- 5321145
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
10.1007/BF01127097 
https://dx.doi.org/10.1007/BF01127097
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