The basis set effect on the results of the minimization of the total energy bifunctional E[ρA,ρB]
Contributeurs/tricesDulak, Marcin; Wesolowski, Tomasz Adam
Publié dansInternational journal of quantum chemistry, vol. 101, no. 5, p. 543-549
Date de publication2005
Résumé
Mots-clés
- Basis sets
- Total energy bifunctional
- Orbital-free embedding
- Weak intermolecular complexes
Structure d'affiliation
Groupe de recherche
Citation (format ISO)
DULAK, Marcin, WESOLOWSKI, Tomasz Adam. The basis set effect on the results of the minimization of the total energy bifunctional E[ρA,ρB]. In: International journal of quantum chemistry, 2005, vol. 101, n° 5, p. 543–549. doi: 10.1002/qua.20309
Fichiers principaux (1)
Article (Published version)
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Identifiants
- PID : unige:3315
- DOI : 10.1002/qua.20309
ISSN du journal0020-7608