On the electron leak problem in orbital-free embedding calculations
Contributeurs/tricesDulak, Marcin; Wesolowski, Tomasz Adam
Publié dansThe Journal of chemical physics, vol. 124, no. 16, 164101
Date de publication2006
Résumé
Mots-clés
- Fluorine
- Negative ions
- Lithium
- Positive ions
- Water
- Orbital calculations
- Density functional theory
Structure d'affiliation
Groupe de recherche
Citation (format ISO)
DULAK, Marcin, WESOLOWSKI, Tomasz Adam. On the electron leak problem in orbital-free embedding calculations. In: The Journal of chemical physics, 2006, vol. 124, n° 16, p. 164101. doi: 10.1063/1.2189228
Fichiers principaux (1)
Article (Published version)
Identifiants
- PID : unige:3283
- DOI : 10.1063/1.2189228
ISSN du journal0021-9606