Art

J-GLOBAL ID：200902279248845437   Reference number：09A0721754

Revised model core potentials for third-row transition-metal atoms from Lu to Hg

LuからHgまでの第三列遷移金属原子のモデルコアポテンシャルの再検討

Author (9)： MORI Hirotoshi (Ocha-dai Academic Production, Div. of Advanced Sciences, Ochanomizu Univ., 2-1-1 Ohtsuka, Bunkyo-ku, Tokyo 112-8610, JPN) ,  MORI Hirotoshi (JST-CREST, Kawaguchi 332-0012, JPN) ,  UENO-NOTO Kaori (Ocha-dai Academic Production, Div. of Advanced Sciences, Ochanomizu Univ., 2-1-1 Ohtsuka, Bunkyo-ku, Tokyo 112-8610, JPN) ,  OSANAI You (Fac. of Pharmaceutical Sciences, Aomori Univ., Aomori 030-0943, JPN) ,  NORO Takeshi (Div. of Chemistry, Graduate School of Sci., Hokkaido Univ., Sapporo 060-0810, JPN) ,  FUJIWARA Takayuki (Graduate School of Engineering Sciences, Kyushu Univ., 6-1 Kasuga Park, Fukuoka 816-8580, JPN) ,  KLOBUKOWSKI Mariusz (Dep. of Chemistry, Univ. of Alberta Edmonton, Alberta, Canada T6G 2G2) ,  MIYOSHI Eisaku (JST-CREST, Kawaguchi 332-0012, JPN) ,  MIYOSHI Eisaku (Graduate School of Engineering Sciences, Kyushu Univ., 6-1 Kasuga Park, Fukuoka 816-8580, JPN)
Material： Chemical Physics Letters  (Chem Phys Lett)
Volume： 476  Issue： 4-6  Page： 317-322  Publication year： Jul. 16, 2009 
JST Material Number： B0824A  ISSN： 0009-2614  Document type： Article
Article type： 短報  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Thesaurus term： *transition metal ,  Lutetium ,  mercury (element) ,  potential ,  core electron ,  atomic structure ,  valence ,  *electronic structure ,  *basis set ,  correlation function ,  computation model ,  spectroscopic constant ,  excitation energy ,  Gold
Semi thesaurus term： MCP基底関数系 ,  モデルコアポテンシャル

JST classification (3)： Inorganic compounds and elements in general  (CD01010D) ,  Physical chemistry in general  (CB01010X) ,  Electronic structure of atoms in general  (BH02010V)

Terms in the title (4)： Lu ,  Hg ,  遷移 ,  金属原子