Title

Comparison Between Correlation Crystal Field Calculations Using Extended Basis Sets and Two-electron Operators

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.

Journal Title

Journal of Alloys and Compounds

Volume

323-324

First Page

636

Last Page

639

DOI

10.1016/S0925-8388(01)01183-5

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