Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory
Author:
Affiliation:
1. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany
2. Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Akad. Georgi Bontchev Street 11, 1113 Sofia, Bulgaria
Funder
Max-Planck-Gesellschaft
Verband der Chemischen Industrie
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b11227
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1. 929. The effects of crystal fields on the properties of transition-metal ions
2. Ligand-field theory
3. Optical Spectra of Hydrated Ions of the Transition Metals
4. Crystal-field and charge transfer transitions due to Cr3+ ions in fluorides
5. Metal-centered and ligand-to-metal charge-transfer transitions of[CrO4]4−and[MnO4]3−inLiNbGeO5:Cr4+andSr5(VO4)3F:Mn5+using a density-functional-theory approach
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