Ab initio calculation of near-equilibrium potential and multipole moment surfaces and vibrational frequencies of H3+ and its isotopomers
- Author
- MEYER, W1 ; BOTSCHWINA, P; BURTON, P
[1] Univ. Kaiserslautern, fachbereich chemie, Kaiserslautern, Germany - Source
The Journal of chemical physics. 1986, Vol 84, Num 2, pp 891-900 ; ref : 48 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 Dimension base Distance internucléaire Espèce isotopique Etude théorique Hydrogène Ion moléculaire Interaction configuration Ion positif Longueur liaison Molécule triatomique Moment multipolaire électrique Méthode ab initio Niveau énergie vibrationnel Orbitale gaussienne Surface potentiel
- Keyword (en)
- Inorganic compound Basis set size Internuclear distance Isotopic species Theoretical study Hydrogen Molecular ions Configuration interaction Positive ion Bond length Triatomic molecule Electric multipole moment Ab initio method Vibrational energy level Gaussian orbital Potential surface
- Keyword (es)
- Compuesto mineral Dimensión base Distancia internuclear Especie isotópica Estudio teórico Hidrógeno Interacción configuración Ión positivo Longitud enlace Molécula triatómica Momento multipolar eléctrico Método ab initio Nivel energía vibracional Orbital gaussiano Superficie potencial
- 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
- 7877768
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
10.1063/1.450534 
https://dx.doi.org/10.1063/1.450534
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