Crystal Field in Rare-Earth Trichlorides. III. Charge Penetration and Covalency Contributions in PrCl3
- 1 November 1968
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 49 (9) , 4037-4043
- https://doi.org/10.1063/1.1670714
Abstract
Our previous calculation has been corrected by taking into account the electrostatic‐charge‐penetration contribution and extended by including the covalency contribution. These are particularly relevant in the calculation of the parameters, which are now brought into reasonable agreement with experiment.
Keywords
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