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

研究成果: Article › 査読

6 被引用数 (Scopus)

抄録

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.

本文言語	English
ページ（範囲）	807-813
ページ数	7
ジャーナル	Journal of the Physical Society of Japan
巻	63
号	2
DOI	https://doi.org/10.1143/JPSJ.63.807
出版ステータス	Published - 1994 1月 1
外部発表	はい

ASJC Scopus subject areas

物理学および天文学（全般）

文献へのアクセス

10.1143/JPSJ.63.807

他のファイルとリンク

引用スタイル

@article{a1c3151888a3470fb1b4b02fbe2af408,

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.",

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

author = "Shinichi Itoh and Riichiro Saito and Tadamasa Kimura and Satoshi Yabushita",

year = "1994",

month = jan,

day = "1",

doi = "10.1143/JPSJ.63.807",

language = "English",

volume = "63",

pages = "807--813",

journal = "Journal of the Physical Society of Japan",

issn = "0031-9015",

publisher = "Physical Society of Japan",

number = "2",

}

TY - JOUR

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

UR - http://www.scopus.com/inward/record.url?scp=21344477213&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=21344477213&partnerID=8YFLogxK

U2 - 10.1143/JPSJ.63.807

DO - 10.1143/JPSJ.63.807

M3 - Article

AN - SCOPUS:21344477213

VL - 63

SP - 807

EP - 813

JO - Journal of the Physical Society of Japan

JF - Journal of the Physical Society of Japan

SN - 0031-9015

IS - 2

ER -

Relativistic Effect on Multiplet Terms of Rare Earth Ions

抄録

ASJC Scopus subject areas

文献へのアクセス

他のファイルとリンク

フィンガープリント

引用スタイル