Critical evaluation of some computational approaches to the problem of basis set superposition error
- Author
- GUTOWSKI, M1 ; CHALASINSKI, G
[1] Univ. Utah, dep. chemistry, Salt Lake City UT 84112, United States - Source
The Journal of chemical physics. 1993, Vol 98, Num 7, pp 5540-5554 ; ref : 67 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)
- Dimère Energie interaction Erreur BSSE Etude théorique Hélium Molécule Molécule van der Waals Méthode SCF Symétrie Théorie Hartree Fock Théorie perturbation Méthode FCP Méthode MP2 Méthode SMMO
- Keyword (en)
- Dimer Interaction energy Basis set superposition error Theoretical study Helium Molecules Van der Waals molecule SCF method Symmetry Hartree Fock theory Perturbation theory MP2 Method
- Keyword (es)
- Dímero Energía interacción Error superposición base Estudio teórico Helio Molécula Molécula van der Waals Método SCF Simetría Teoría Hartree Fock 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
- 4708094
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
10.1063/1.464901 
https://dx.doi.org/10.1063/1.464901
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