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Theoretical Calculation of Equilibrium Geometries and d-d Spectra of 3d ions in Octahedral Fluorides

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Abstract

The cluster model is a theoretical framework currently adopted in the interpretation of the optical properties of transition-metal ions in ionic cristals. It is assumed in this approach that many observable properties of the crystal can be explained once the details of the electronic structure of a basic unit, the cluster, have been understood.

© 1987 Optical Society of America

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