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

Shinichi Itoh, Satoshi Yabushita

研究成果: Article査読

8 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)2924-2933
ページ数10
ジャーナルJournal of the Physical Society of Japan
62
8
DOI
出版ステータスPublished - 1993 1 1
外部発表はい

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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