Crystal Field in Rare-Earth Trichlorides. II. Exchange Charge Effects in PrCl3
- 15 November 1967
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 47 (10), 4133-4136
- https://doi.org/10.1063/1.1701589
Abstract
The redistribution of charge due to overlap between the rare‐earth ion 5s2p6 shell and the surrounding ligands and to overlap between neighboring ligands is shown to produce a large reduction in the electrostatic contributions to the crystal field. This correction brings the calculated value of A20〈r2〉 close to its experimental value in PrCl3.Keywords
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