Art

J-GLOBAL ID：201002214072209225   Reference number：10A0346876

Electronic structure of LaO based on frozen-core four-component relativistic multiconfigurational quasidegenerate perturbation theory

フローズンコア四成分相対論的多配置擬縮退摂動理論によるLaOの電子構造

Author (5)： MORIYAMA Hiroko (Graduate School of Natural Sciences, Nagoya City Univ., Nagoya, Aichi 467-8501, JPN) ,  WATANABE Yoshihiro (Dep. of Chemistry, Fac. of Sciences, Kyushu Univ., Fukuoka 812-8581, JPN) ,  NAKANO Haruyuki (Dep. of Chemistry, Fac. of Sciences, Kyushu Univ., Fukuoka 812-8581, JPN) ,  YAMAMOTO Shigeyoshi (School of International Liberal Studies, Chukyo Univ., Nagoya, Aichi 466-8666, JPN) ,  TATEWAKI Hiroshi (Graduate School of Natural Sciences, Nagoya City Univ., Nagoya, Aichi 467-8501, JPN)
Material： Journal of Chemical Physics  (J Chem Phys)
Volume： 132  Issue： 12  Page： 124310  Publication year： Mar. 28, 2010 
JST Material Number： C0275A  ISSN： 0021-9606  CODEN： JCPSA6  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Thesaurus term： *lanthanum oxide ,  *electronic structure ,  relativistic effect ,  degeneracy ,  perturbation theory ,  multi-component system ,  ground state ,  excited state ,  configuration interaction method ,  potential energy curve ,  excitation energy ,  spectral line assignment
Semi thesaurus term： four-component system ,  perturbation theory ,  配位子場理論 ,  polarization function

JST classification (3)： Electronic structure of molecules  (BH05010Q) ,  Other physical chemistry in general  (CB01030T) ,  Molecular and genetic information processing  (JE15040B)

Terms in the title (2)： LAO ,  電子構造