Effect of the f-Orbital Delocalization on the Ligand-Field Splitting Energies in Lanthanide-Containing Elpasolites
ContributorsZbiri, Mohamed; Daul, Claude; Wesolowski, Tomasz Adam
Published inJournal of chemical theory and computation, vol. 2, no. 1, p. 1106-1111
Publication date2006
Abstract
Keywords
- Ligand-field theory
- Lanthanide
- Optical centre
- Embedding
- Density functional theory
- Elpasolite
Affiliation entities
Research groups
Citation (ISO format)
ZBIRI, Mohamed, DAUL, Claude, WESOLOWSKI, Tomasz Adam. Effect of the f-Orbital Delocalization on the Ligand-Field Splitting Energies in Lanthanide-Containing Elpasolites. In: Journal of chemical theory and computation, 2006, vol. 2, n° 1, p. 1106–1111. doi: 10.1021/ct060035a
Main files (1)
Article (Published version)
Identifiers
- PID : unige:3644
- DOI : 10.1021/ct060035a
ISSN of the journal1549-9618