Effect of overlap between the magnetic electron wave function of a central metal ion and the electronic wave function of surrounding ligands on the crystal field parameters of rare-earth ions in rare-earth crystal has been investigated. For the Pr 3+ ion in PrCl 3 crystal overlap effect is shown to affect the A 6 0 parameter in an important way, while it is expected to be small for the A 2 0 and A 4 0 parameters. Results are discussed in the light of previous estimations of crystal field parameters for LaCl 3 structure by Hutchings and Ray based on an ionic approximation.
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Raychaudhuri et al. (1965) studied this question.
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