Relativistic Effect on Multiplet Terms of Rare Earth Ions

Shinichi Itoh; Riichiro Saito; Tadamasa Kimura; Satoshi Yabushita

doi:10.1143/JPSJ.63.807

Relativistic Effect on Multiplet Terms of Rare Earth Ions

Shinichi Itoh, Riichiro Saito, Tadamasa Kimura, Satoshi Yabushita

Research output: Contribution to journal › Article › peer-review

6 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 language	English
Pages (from-to)	807-813
Number of pages	7
Journal	Journal of the Physical Society of Japan
Volume	63
Issue number	2
DOIs	https://doi.org/10.1143/JPSJ.63.807
Publication status	Published - 1994 Jan 1
Externally published	Yes

Keywords

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

ASJC Scopus subject areas

General Physics and Astronomy

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10.1143/JPSJ.63.807

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title = "Relativistic Effect on Multiplet Terms of Rare Earth Ions",

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.",

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T1 - Relativistic Effect on Multiplet Terms of Rare Earth Ions

AU - Itoh, Shinichi

AU - Saito, Riichiro

AU - Kimura, Tadamasa

AU - Yabushita, Satoshi

PY - 1994/1/1

Y1 - 1994/1/1

N2 - 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.

AB - 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.

KW - ab initio

KW - effective nuclear charge

KW - multiplet terms

KW - rare earth

KW - relativistic effect

KW - spin-orbit configuration interaction

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Relativistic Effect on Multiplet Terms of Rare Earth Ions

Abstract

Keywords

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