Optical spectra of some octahedral transition metal fluorides as calculated by multiple scattering method |
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| Authors: | Sven Larsson J.W.D. Connolly |
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| Affiliation: | Chemistry Department, Quantum Theory Project, Williamson Hall, University of Florida, Gainesville, Florida 32601, USA;Physics Department, Quantum Theory Project, Williamson Hall, University of Florida, Gainesville, Florida 32601, USA |
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| Abstract: | The electronic spectra of the octahedral clusters TiF3?6, CrF3?6, MnF2?6, NiF2?6, and NiF4?6 are calculated using the multiple-scattering model with statistical exchange. The agreement is satisfactory, indicating that this simple method can be used for detailed investigations of the electronic structure of transition metal complexes. |
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