Art

J-GLOBAL ID：200902258607675693   Reference number：08A0127128

Revised model core potentials for first-row transition-metal atoms from Sc to Zn

ScからZnまでの第一遷移金属原子の改定モデルコアポテンシャル

Author (8)： OSANAI You (Fac. of Pharmaceutical Sciences, Aomori Univ., Aomori 030-0943, JPN) ,  MON Ma San (Graduate School of Engineering Sciences, Kyushu Univ., 6-1 Kasuga Park, Fukuoka 816-8580, JPN) ,  NORO Takeshi (Div. of Chemistry, Graduate School of Sci., Hokkaido Univ., Sapporo, Hokkaido 060-0810, JPN) ,  MORI Hirotoshi (Graduate School of Engineering Sciences, Kyushu Univ., 6-1 Kasuga Park, Fukuoka 816-8580, JPN) ,  NAKASHIMA Hisaki (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 (Graduate School of Engineering Sciences, Kyushu Univ., 6-1 Kasuga Park, Fukuoka 816-8580, JPN) ,  MIYOSHI Eisaku (JST-CREST, Kawaguchi 332-0012, JPN)
Material： Chemical Physics Letters  (Chem Phys Lett)
Volume： 452  Issue： 1-3  Page： 210-214  Publication year： Feb. 04, 2008 
JST Material Number： B0824A  ISSN： 0009-2614  Document type： Article
Article type： 短報  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Thesaurus term： *potential ,  *transition metal ,  basis set ,  spectroscopic constant ,  relativistic effect ,  *electronic structure ,  PHF method
Semi thesaurus term： *コアポテンシャル ,  *transition metal

JST classification (1)： Atoms and molecules in general  (BH01010O)

Terms in the title (5)： Sc ,  Zn ,  遷移 ,  金属原子 ,  改定