On the evaluation of analytic energy derivatives for correlated wave functions
- Author
- HANDY, N. C1 ; SCHAEFER, H. F. III
[1] Univ. Cambridge, chemical lab., Cambridge CB2 1EW, United Kingdom - Source
The Journal of chemical physics. 1984, Vol 81, Num 11, pp 5031-5033 ; ref : 35 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)
- Corrélation électronique Dérivée fonction Etude théorique Fonction onde Molécule Méthode analytique Méthode gradient
- Keyword (en)
- Electron correlation Function derivative Theoretical study Wave function Molecules Analytical method Gradient method
- 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
- 9209307
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
10.1063/1.447489 
https://dx.doi.org/10.1063/1.447489
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