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Comparison between correlation crystal field calculations using extended basis sets and two-electron operators

M. J. Lee, M. F. Reid, M. D. Faucher, Gary W Burdick

Research output: Contribution to journalArticlepeer-review

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.
Original languageAmerican English
Pages (from-to)636-639
JournalJournal of Alloys and Compounds
Volume323-324
DOIs
StatePublished - Jul 12 2001

Keywords

  • Correlation
  • Crystal field
  • Theoretical methods

Disciplines

  • Physics

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