Article
Comparison Between Correlation Crystal Field Calculations Using Extended Basis Sets and Two-electron Operators
Journal of Alloys and Compounds
Document Type
Conference Proceeding
Publication Date
7-12-2001
Keywords
- Correlation,
- Crystal field,
- Theoretical methods
Abstract
There are two established methods for extending the crystal-field model for 4fN configurations. One is to add two-electron correlation crystal-field operators, the other is to extend the basis set to include more configurations. We consider the case of Pr3+ ions in LiYF4 and show, by projecting the configuration-interaction Hamiltonian into the 4f2 configuration, that in this case the two approaches give very similar results. © 2001 Elsevier Science B.V.
DOI
https://doi.org/10.1016/S0925-8388(01)01183-5
Citation Information
M. J. Lee, M. F. Reid, M. D. Faucher and Gary W. Burdick. "Comparison Between Correlation Crystal Field Calculations Using Extended Basis Sets and Two-electron Operators" Journal of Alloys and Compounds Vol. 323-324 (2001) p. 636 - 639 Available at: http://works.bepress.com/gary_burdick/91/