Ab initio calculations on the four lowest electronic states of AIF+ and AICI+
- Author
- GLENEWINKEL-MEYER, T1 ; MÜLLER, B; OTTINGER, C; ROSMUS, P; KNOWLES, P. J; WERNER, H.-J
[1] Max Planck Inst. Strömungsforschung, Göttigen 3400, Germany - Source
The Journal of chemical physics. 1991, Vol 95, Num 7, pp 5133-5141 ; ref : 17 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)
- Cation minéral Chimiluminescence Composé minéral Constante moléculaire Constante rotation Constante vibration Courbe potentiel Energie dissociation Etude théorique Interaction configuration Molécule diatomique Moment dipolaire Moment transition Méthode CAS SCF Méthode MR CI Méthode ab initio Orbitale gaussienne Transition électronique Aluminium chlorure cation Aluminium fluorure cation Diagramme corrélation Programme MOLPRO
- Keyword (en)
- Inorganic cation Chemiluminescence Inorganic compound Molecular constant Rotational constant Vibrational constant Potential energy curve Dissociation energy Theoretical study Configuration interaction Diatomic molecule Dipole moment Transition moment CAS SCF method MR CI method Ab initio method Gaussian orbital Electronic transition
- Keyword (es)
- Catión inorgánico Quimioluminiscencia Compuesto inorgánico Constante molecular Constante rotación Constante vibración Curva potencial Energía disociación Estudio teórico Interacción configuración Molécula diatómica Momento dipolar Momento transición Método CAS SCF Método MR CI Método ab initio Orbital gaussiano Transición 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
- 5019738
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
10.1063/1.461681 
https://dx.doi.org/10.1063/1.461681
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