パノスコピック形態制御希土類系物質における4f電子状態の理論的研究

Products Report

• Project/Area Number: 16080216
• Research Category: Grant-in-Aid for Scientific Research on Priority Areas
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: Nagoya City University
• Principal Investigator: 舘脇 洋 Nagoya City University, 大学院・システム自然科学研究科, 教授 (20002115)
• Co-Investigator(Kenkyū-buntansha): 三好 永作 名古屋市立大学, 大学院・総合理工学研究院, 教授 (70148914)
• Project Period (FY): 2004 – 2008

Research Products

• [Journal Article] Electronic structure of Lanthanide monofluoride in the ground state : Frozen-core Dirac-Fock-Roothaan calculation (2009)
  • Author(s): Y. Wasada-Tsutsui, Y. Watanabe, and H. Tatewaki
  • Journal Title: Int. J. Quantum Chem.
  • Description: accepted
  • Peer Reviewed
• [Journal Article] Molecular spinors suitable for four-component relativistic correlation calculations : studies of LaF^+ and LaF using mult-configurational quasu-degenerate perturbation theory (2009)
  • Author(s): H. Moriyama, Y. Watanabe, H. Tatewaki, and H. Nakano
  • Journal Title: Int. J. Quantum Chem. accepted
  • Description: accepted
  • Peer Reviewed
• [Journal Article] CASSCF and CASPT2 calculations for lanthanide trihalides LnX_3 using model core potential. (2009)
  • Author(s): S. Tsukamoto, H. Mori, H. Tatewaki, and E. Miyoshi
  • Journal Title: Chem. Phys. Lett.
  • Description: accepted
  • Peer Reviewed
• [Journal Article] The electronic structure of LaF^+ and LaF by frozen-core four-component relativistic second-order multiconfiguration quasidegenerate perturbation theory (2008)
  • Author(s): H. Moriyama, Y. Watanabe, H. Nakano, and H. Tatewaki
  • Journal Title: J. Phys. Chem. Volume: A112 Pages: 2683,2692
  • Peer Reviewed
• [Journal Article] Experimental and Theoretical approaches toward Anion-responsive tripode-lanthanide complex : mixed donor ligand effects on lanthanide complexation and luminescence sensing profiles (2008)
  • Author(s): Y. Kataoka, D. Paul, H. Miyake, T. Yaita, E. Miyoshi, H. Mori, S. Tsukamoto, H. Tatewaki, S. Shinoda, and H. Tsukube
  • Journal Title: Chemistry ; A Chem. Eur, J. Volume: 14 Pages: 5258,5266
  • Peer Reviewed
• [Journal Article] Electronic Structure of CeF from frozen-core four-component relativistic quasidegenerated perturbation theory (2008)
  • Author(s): H. Tatewaki, S. Yamamoto, Y. Watanabe, and H. Nakano
  • Journal Title: J. Chem. Phys. Volume: 128 Pages: 214901-1,8
  • Peer Reviewed
• [Journal Article] ipole allowed transitions in GdF : A four-component relativistic general open-shell configuration interaction study (2008)
  • Author(s): S. Yamamoto, H. Tatewaki, and T. Saue
  • Journal Title: J. Chem. Phys. Volume: 129 Pages: 244505-1,5
  • Peer Reviewed
• [Journal Article] The electron affinity of lead : An ab initio four-component relativistic study (2008)
  • Author(s): H. Tatewaki, S. Yamamot, H. Moriyama, Y. Watanabe
  • Journal Title: Chem. Phys. Lett. Volume: 470 Pages: 158,161
  • Peer Reviewed
• [Presentation] 4成分相対論によるPbFの電子構造の研究 (2009)
  • Author(s): 山本茂義、館脇 洋、Trond Saue
  • Organizer: 日本化学会第89春季年会
  • Place of Presentation: 船橋
  • Year and Date: 2009-03-27 – 2009-03-29
• [Presentation] ノスコピック形態制御希土類系物質における4f電子状態の理論的研究 (2009)
  • Author(s): 舘脇 洋、三好 永作
  • Organizer: 希土類成果報告会
  • Place of Presentation: 長崎大学 文教キャンパス
  • Year and Date: 2009-01-30 – 2009-01-31
• [Presentation] La0の電子状態について (2008)
  • Author(s): 森山 浩子、渡辺 祥弘、中野 晴之、館脇 洋
  • Organizer: 分子科学討論会
  • Place of Presentation: 福岡
  • Year and Date: 2008-09-00
• [Presentation] 4成分相対論CI計算によるGdF分子の励起状態の解析(Ⅱ)) (2008)
  • Author(s): 山本茂義、舘脇 洋、Trond Saue
  • Organizer: 分子科学討論会
  • Place of Presentation: 福岡
  • Year and Date: 2008-09-00
• [Presentation] 相対論的モデル内殻ポテンシャル(MCP)法による3価の希土類イオンの水和構造についての理論研究 (2008)
  • Author(s): 藤原 崇幸、森 寛敏、舘脇 洋、三好永作
  • Organizer: 分子科学討論会
  • Place of Presentation: 福岡
  • Year and Date: 2008-09-00
• [Presentation] 原子軌道密度集合による分子軌道解析支援3D描画システムの開発 (2008)
  • Author(s): ○中 貴俊・山本茂義・秦野やす世(中京大)・舘脇 洋(名市大)・遠藤 守・山田雅之・宮崎慎也(中京大)
  • Organizer: マルチメディア・仮想環境基礎研究会(MVE
  • Place of Presentation: 信州大学(IE, MVE)
  • Year and Date: 2008-07-14 – 2008-07-15
• [Presentation] パノスコピック形態制御希土類系物質における4f電子状態の理論研究 : フッ化ランタニドの基底状態についての理論的研究 (2008)
  • Author(s): 舘脇 洋、三好永作
  • Organizer: 文部科学省科学研究費補助金特別研究促進費「希土類形態制御」平成18年度成果報告会
  • Place of Presentation: 大阪(千里阪急ホテル)
  • Year and Date: 2008-05-13 – 2008-05-14
• [Presentation] パノスコピック形態制御希土類系物質における4f電子状態の理論研究 : フッ化ランタニドの基底状態についての理論的研究 (2008)
  • Author(s): 舘脇 洋、和佐田 祐子
  • Organizer: 文部科学省科学研究費補助金平成16年度発足特定領域研究「希土類形態制御」平成18年度成果報告会
  • Place of Presentation: 大阪(千里阪急ホテル)
  • Year and Date: 2008-01-30