Theory and application of MBPT (3) gradients: the density approach
- Author
- SALTER, E. A1 ; TRUCKS, G. W; FITZGERALD, G; BARTLETT, R. J
[1] Univ. Florida, quantum theory project, Gainesville FL 32611, United States - Source
Chemical physics letters. 1987, Vol 141, Num 1-2, pp 61-70 ; ref : 16 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)
- Ammoniac Carbène Composé minéral Composé organique Conformation Corrélation électronique Eau Energie totale Etude théorique Molécule petite Molécule triatomique Moment dipolaire Méthode calcul Méthode gradient Orbitale canonique Orbitale gaussienne contractée Théorie MBPT Théorie perturbation Méthylène
- Keyword (en)
- Ammonia Carbene Inorganic compound Organic compounds Conformation Electron correlation Water Total energy Theoretical study Small molecule Triatomic molecule Dipole moment Calculating method Gradient method Canonical orbital Contracted gaussian orbital MBPT theory Perturbation theory
- Keyword (es)
- Amoníaco Carbeno Compuesto mineral Compuesto organico Conformación Correlación electrónica Agua Energía total Estudio teórico Molécula pequeña Molécula triatómica Momento dipolar Método cálculo Método gradiente Orbital canónico Orbital gaussiano contractado Teoría perturbación cuerpos multiples 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
- 7700103
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(87)80093-3 
https://dx.doi.org/10.1016/0009-2614(87)80093-3
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