Relativistic Effect on Multiplet Terms of Rare Earth Ions

Shinichi Itoh, Riichiro Saito, Tadamasa Kimura, Satoshi Yabushita

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Ab initio Spin-Orbit Configuration Interaction (SOCI) calculations for the trivalent lanthanide group ions are presented for the special purpose to investigate the relativistic SO effects on their multiplet terms. The effective nuclear charges (Zeff's) for one-body spin-orbit Hamiltonian are calculated by an atomic Dirac-Slater Xa equation and applied to the lanthanide ions. The relativistic effects of core electrons can easily be included in the reduction of Zeff and the multiplet levels shift up to 200 cm-1 by the reduction. The multiplet energies obtained by the present method are in good agreement with experimental values.

Original languageEnglish
Pages (from-to)807-813
Number of pages7
Journaljournal of the physical society of japan
Volume63
Issue number2
DOIs
Publication statusPublished - 1994 Jan 1
Externally publishedYes

Keywords

  • ab initio
  • effective nuclear charge
  • multiplet terms
  • rare earth
  • relativistic effect
  • spin-orbit configuration interaction

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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