Ab Initio Calculations of the Multiplet Terms of (TmP4)3+ Cluster

Shinichi Itoh, Satoshi Yabushita

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Multiplet structures of a rare earth ion, Tm3+, in tetrahedral symmetry of ligand P atoms are calculated on the basis of configuration interaction calculation with Gaussian basis sets. The spin-orbit interactions of a rare earth ion and the crystal field effect are all taken into account in the ab initio calculations. The calculated results of the splitting between the ground state and excited multiplet states, 3H4x3H6 and 3H5x3H6, are in good agreement with the former numerical and experimental results.

Original languageEnglish
Pages (from-to)2924-2933
Number of pages10
JournalJournal of the Physical Society of Japan
Volume62
Issue number8
DOIs
Publication statusPublished - 1993 Jan 1
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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