The basis set effect on the results of the minimization of the total energy bifunctional E[ρA,ρB]
ContributorsDulak, Marcin; Wesolowski, Tomasz Adam
Published inInternational journal of quantum chemistry, vol. 101, no. 5, p. 543-549
Publication date2005
Abstract
Keywords
- Basis sets
- Total energy bifunctional
- Orbital-free embedding
- Weak intermolecular complexes
Affiliation entities
Research groups
Citation (ISO format)
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
Main files (1)
Article (Published version)
Identifiers
- PID : unige:3315
- DOI : 10.1002/qua.20309
Journal ISSN0020-7608