Configuration interaction contributions to the correlation crystal field in Pr3+
- 28 May 1978
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 11 (10) , 2029-2037
- https://doi.org/10.1088/0022-3719/11/10/013
Abstract
Expressions are given for the configuration interaction contributions to the correlation crystal field in lanthanide ions. Contributions to the parameters B0K(LL) are calculated for the system Pr3+-Cl-. Wavefunctions derived from a modified Hartree-Fock potential are used, with excited states up to n=18 and l=5. The results obtained show that configuration interaction gives reductions in the Slater parameters as well as a significant term dependence of the quadrupole crystal-field parameters, mainly due to an L-dependent radial expansion of the Pr3+ 4f wavefunction.Keywords
This publication has 17 references indexed in Scilit:
- Parametrisation of crystal induced correlation between f-electronsJournal of Physics C: Solid State Physics, 1977
- Correlation Crystal Fields for Lanthanide IonsPhysical Review Letters, 1977
- Ligand field theory for actinidesThe Journal of Chemical Physics, 1977
- Contributions from high angular momentum states to three particle correlation in Pr2+Journal of Physics B: Atomic and Molecular Physics, 1975
- Theory of lanthanide crystal fieldsAdvances in Physics, 1971
- Configuration Interaction and the Spectra of La:Physical Review B, 1970
- Parametrization of the correlation crystal fieldJournal of Physics C: Solid State Physics, 1970
- Crystal Field Parameters of Ho3+ in YPO4Physica Status Solidi (b), 1970
- Crystal Field in Rare-Earth Trichlorides. III. Charge Penetration and Covalency Contributions in PrCl3The Journal of Chemical Physics, 1968
- Spectrum of Er3+ in LaCl3The Journal of Chemical Physics, 1963