Ligand field density functional theory for the prediction of future domestic lighting

• DOI: 10.1039/c3cp55521f
• Publication Date: 2014-05-13T09:32:15Z
• Authors: Harry Ramanantoanina; Werner Urland; Amador García-Fuente; Fanica Cimpoesu; Claude Daul
• Keywords: complexes; Dewey Decimal Classification::500 | Naturwissenschaften::540 | Chemie; pr3+; fine-structure; 02 engineering and technology; fluoride-crystals; dft; 01 natural sciences; electronic-properties; 7. Clean energy; 0104 chemical sciences; excited-state absorption; augmented-wave method; Dewey Decimal Classification::500 | Naturwissenschaften::530 | Physik; 0210 nano-technology; transitions; angular overlap model

A ligand field density functional theory model for two-open-shell f and d electrons.