The structure of linear SiCC: an ab initio SCF study including vibrational effects
- Author
- PAUZAT, F1 ; ELLINGER, Y
[1] ENSJF, lab. chimie quantique, Montrouge 92120, France - Source
Chemical physics letters. 1984, Vol 112, Num 6, pp 519-523 ; ref : 30 ref
- CODEN
- CHPLBC
- ISSN
- 0009-2614
- Scientific domain
- General chemistry, physical chemistry; Atomic molecular physics; Condensed state physics
- Publisher
- Elsevier Science, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Keyword (fr)
- Anharmonicité Composé minéral Conformation Constante rotation Energie totale Energie transition Etude théorique Intensité Interaction configuration Moment dipolaire Méthode CI Méthode SCF Méthode ab initio Silicium Carbure Transition vibrationnelle
- Keyword (en)
- Anharmonicity Inorganic compound Conformation Rotational constant Total energy Transition energy Theoretical study Intensity Configuration interaction Dipole moment CI method SCF method Ab initio method Silicon Carbides Vibrational transition
- 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
- 9207267
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
10.1016/0009-2614(84)85769-3 
https://dx.doi.org/10.1016/0009-2614(84)85769-3
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