Density functional theory with an approximate kinetic energy functional applied to study structure and stability of weak van der Waals complexes
Contributeurs/tricesWesolowski, Tomasz Adam; Ellinger, Yves; Weber, Jacques
Publié dansThe Journal of chemical physics, vol. 108, no. 15, p. 6078-6083
Date de publication1998
Résumé
Mots-clés
- Organic compounds
- Oxygen
- Nitrogen
- Carbon compounds
- Quasimolecules
- Density functional theory
- Potential energy surfaces
- Molecular configurations
Structure d'affiliation
Groupe de recherche
Citation (format ISO)
WESOLOWSKI, Tomasz Adam, ELLINGER, Yves, WEBER, Jacques. Density functional theory with an approximate kinetic energy functional applied to study structure and stability of weak van der Waals complexes. In: The Journal of chemical physics, 1998, vol. 108, n° 15, p. 6078–6083. doi: 10.1063/1.476018