YABUSHITA Satoshi 藪下聡

… Alternative Names

藪下聡ヤブシタサトシ

薮下聡ヤブシタサトシ

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Researcher Number	50210315
Other IDs
Affiliation (Current)	2025: 慶應義塾大学, 理工学部(矢上), 名誉教授
Affiliation (based on the past Project Information) *help	2020 – 2024: 慶應義塾大学, 理工学部(矢上), 名誉教授 2016 – 2019: 慶應義塾大学, 理工学部(矢上), 教授 2001 – 2015: Faculty of Science and Technology, Professor, 理工学部, 教授 2003: Keio University, Department of Chemistry, Professor, 理工学部, 教授 1997 – 2000: 慶應義塾大学, 理工学部, 助教授 … More 1998 – 1999: 慶応義塾大学, 理工学部, 助教授 1994 – 1995: 慶応義塾大学, 理工学部, 助教授 1994 – 1995: 慶應義塾大学, 理工学部, 助教授 1993: 千葉大学, 教養部, 助教授 1992: 広島大学, 理学部, 助手 1988 – 1989: Faculty of Science, Hiroshima University, Assistant, 理学部, 助手 Less
Review Section/Research Field	Principal Investigator Physical chemistry / Science and Engineering / Physical chemistry / Basic Section 32010:Fundamental physical chemistry-related / 物理学一般 Except Principal Investigator 物理化学一般 / Physical chemistry / Physical chemistry / Science and Engineering / 工業物理化学 / 物理学一般
Keywords	Principal Investigator スピン軌道相互作用 / 振動数依存分極率 / 複素座標法 / 自動イオン化 / 共鳴状態 / 光イオン化 / 相対論的効果 / RECP法 / 軌道指数最適化 / 複素基底関数法 … More / スピン依存ユニタリー群 / ユニタリー群 / 光イオン化断面積 / 複素基底関数 / 超励起状態 / 二重群 / MCSCF法 / GTO / STO / WWW / QCLDB / 非同次シュレディンガー方程式 / 解析的微分法 / 非断熱過程 / ランタノイドイオン / 非断熱相互作用 / SOCI法 / 相対論 / 遺伝的アルゴリズム / 微分基底関数 / 時間反転対称性 / 応答物性 / 紫外可視吸収強度 / 赤外吸収強度 / 非線形応答関数 / 線形応答関数 / 倍音吸収強度 / 遷移モーメント / 結合音強度 / ポリイン / Morseポテンシャル / Hellmann-Feynman理論 / スピン-スピン相互作用 / モースポテンシャル / 光励起状態 / 時間依存DFT法 / 有機電子論 / 直鎖ポリイン / ルシャトリエの原理 / 1次摂動波動関数 / 非線形応答理論 / 線形応答理論 / 時間依存密度汎関数理論 / 概念的密度汎関数理論 / 電子密度 / 複素関数論 / 線形応答 / 光応答 / j-j結合 / 微分断面積 / 原子・分子物理 / ビス（シクロオクタテトラエン）ランタノイド錯体 / 自由完員関数法 / 複素スレーター型基底関数 / 局所射影分子軌道法 / 負イオン光電子スペクトル / Dyson振幅 / 複素ガウス型基底関数 / スピン軌道配置間相互作用法 / ディラックハミルトニアン / 多重極場 / X線領域光電子分光 / 水素結合強度 / 水分子クラスター / 多重極効果 / 非同次ディラック方程式 / 分子間相互作用理論 / 局所射影分子軌道摂動論 / 多極子展開 / 相対論効果 / ２ポテンシャル公式 / 光イオン化微分断面積 / Newton-Raphson method / Generic algorithm / derivative basis / Complex coordinate method / Photoionization / resonance state / Newton-Raphson法 / Rozen-Zener-Demkov type / Herzberg band / L-uncoupling interaction / Non-adiabatic interaction / SOCI method / Spin-obit interaction / Relativistic effect / Relativistic theory / 微細構造準位 / ヘルツベルグ吸収帯 / コリオリ相互作用 / 相対性理論 / Relational Data / Internet / Ab initio / Quantum Chemistry / Data Base / Literature Data Base / 非経験的分子軌道 / リレーショナルデータベース / インターネット / 非経験分子軌道法 / 量子化学 / データベース / 文献データベース / Laplace方程式 / Dirichlet型境界条件 / 解析的微分 / 水素結合ネットワーク / 分子間相互作用 / even-tempered 基底関数 / 複素Gauss型軌道 / 複素Slater型軌道 / ファノ・プロファイル / ラプラス方程式 / Hylleraasの摂動変分法 / WKB法 / 複素Slater型基底関数 / 正則クーロン関数 / 異方性パラメータ / 形状共鳴状態 / hyper sensitive transition / ff遷移 / ランタノイド三ハロゲン化物 / length gauge / velocity gauge / 負イオン光電子分光 / 円錐交差 / 非断熱遷移 / 量子干渉 / ドブロイ波 / スピン軌道CI / 超敏感遷移 / 偏光特性 / 4f軌道 / f-f遷移 / ランタノイド / 交換相互作用 / 量子干渉効果 / ゼロ磁場分裂 / 波束成形 / 準位分布制御 / 進化的アルゴリズム / フロケ描像 / 波束動力学 / トラッキング / 局所制御理論 / 量子制御 / コヒーレント相互作用 / ラビ振動 / 量子ゼノン効果 / 位相制御 / 定常レーザー場 / リウビリアン / デコヒーレンス / コヒーレント制御 / 二電子励起状態 / 解析接続 / 形状共鳴 / 最小二乗法 / ガウス型軌道 / スレータ型軌道 / MCSDF法 … More Except Principal Investigator 量子化学計算 / ポリアセチレン / 遷移状態 / 反応経路 / 拡張ヒュッケル法 / ab initio計算 / Through Space / 分子設計 / Orbital Symmetry / Bond Interaction / Extended Huckel Method / Ab-initio Method / Reaction Coordinate / Transition State / Electronic State / 軌道対称性 / Through Space@Bond相互作用 / Ab-initio法 / 電子状態 / AB INITIO CALCULATION / SHOCK-TUBE METHOD / UNIMOLECULAR REACTION / REACTION RATE CONSTANT / TRANSITION STATE / REACTION PATH / 衝撃波管 / 素反応速度定数 / 赤外線レーザー加熱 / 素反応速定数 / 衝撃波管法 / 単分子反応 / 反応速度定数 / Polyacetylene Extended Huckel Method / Aperiodic Polymer / Interative Transfer Perturbation Method / 高分子鎖間相互作用 / ソリトン / 電導性 / ハートリ・フォック法 / ドーパント / スーパーセルの方法 / 非周期性 / 周期性高分子 / 大行列式の小行列式分割 / 摂動項の変分的解法 / ポリアセチレン鎖間相互作用系 / ポリアセチレンードーパント系 / ポリアセチレンーソリトン系 / Ab Initio法 / 繰り込み摂動法 / Information Science / Information Search / Ab initio Calculation / Non-empirical Molecular Orbital Method / Database / Quantum Chemistry / Quantum Chemistry Literature Database / ab initio method / 情報科学 / 情報検索 / 非経験的分子軌道法 / データベース / 量子化学 / 量子化学文献データベース / 結晶軌道の位相 / エネルギー帯間隔 / Bond相互作用 / ポリヒドロキシアセチレン / ポリフルオロアセチレン / 導電性高分子 / 水素貯蔵化合物 / 水素化ホウ素リチウム / 量子化学理論 / スピン軌道相互作用 / 基底関数欠損誤差 / 水素結合 / 気体関数欠損誤差 / 分散相互作用 / 電荷移動相互作用 / 水クラスター / 分子軌道理論 / 分子間相互作用 / シクロオクタテトラエン / C_<60> / 希土類元素 / サンドイッチ構造 / 分子線 / レーザー蒸発 / 有機金属クラスター / 特定領域研究 / 分子物理化学 / 反応制御 / レーザー / ネオン原子 / 低エネルギ原子衝突 / ディスアラインメント / ラジカル再結合 / 電子格子相互作用 / ポーラロン強磁性 / 電子相関 / 共鳴ハートリーフォック法 / ハバードモデル / SDW / 分子動力学 / スピン動力学 / 磁場効果 / 共鳴ハートリー・フォック / ハバ-ドモデル / 有機強磁性体 / スイッチング素子 / 温度センサ- / LUMOエネルギ-帯 / HOMOエネルギ-帯 / パイエルス不安定性 / 強い結合の近似 / ド-パント Less

Development and applications of theoretical computational methods for molecular response propertiesPrincipal Investigator
- Principal Investigator
  
  Yabushita Satoshi
- Project Period (FY)
  2020 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Keio University
Theoretical study of resonance states and photoionization of atoms and moleculesPrincipal Investigator
- Principal Investigator
  
  Yabushita Satoshi
- Project Period (FY)
  2016 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Keio University
Theoretical study of photoionization cross sections optimized by the analytical derivative method within the complex coordinate approach.Principal Investigator
- Principal Investigator
  
  Yabushita Satoshi
- Project Period (FY)
  2012 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Keio University
Development and Application of Electron Correlation Theory Suitable for Molecular Interaction Study
- Principal Investigator
  
  IWATA Suehiro
- Project Period (FY)
  2011 – 2013
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Keio University
  Toyota Physical & Chemical Research Institute
Theoretical study on resonance states and photoionization processes with the combination of complex coordinate method and analytical derivative methodPrincipal Investigator
- Principal Investigator
  
  YABUSHITA Satoshi
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Keio University
Development of the relativistic theory for electronic statesPrincipal Investigator
- Principal Investigator
  
  YABUSHITA Satoshi
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Keio University
Theoretical studies on atomic and molecular resonance states and photoionization processes with the complex coordinate methodPrincipal Investigator
- Principal Investigator
  
  YABUSHITA Satoshi
- Project Period (FY)
  2006 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Keio University
強光子場による量子状態制御理論の構築Principal Investigator
- Principal Investigator
  
  薮下聡 (藪下聡)
- Project Period (FY)
  2002 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Keio University
Development of New Quantum Chemistry Literature Database System
- Principal Investigator
  
  MATSUSHITA Toshio
- Project Period (FY)
  2001 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Osaka City University
Theoretical studies on superexcited states and photoionization processes of molecules by analytical continuation of Hamiltonian.Principal Investigator
- Principal Investigator
  
  YABUSHITA Satoshi
- Project Period (FY)
  2001 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Keio University
Relativistic Electronic Structure Theory and Its Applications to Chemical ReactionsPrincipal Investigator
- Principal Investigator
  
  YABUSHITA Satoshi
- Project Period (FY)
  1999 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Keio University
有機金属クラスターの電子構造
- Principal Investigator
  
  茅幸二
- Project Period (FY)
  1998
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Keio University
Development of the Quantum Chemistry Literature Data Base System for InternetPrincipal Investigator
- Principal Investigator
  
  YABUSHITA Satoshi
- Project Period (FY)
  1998 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research (B).
- Research Field
  
  Physical chemistry
- Research Institution
  Keio University
物質設計と反応制御の分子物理化学
- Principal Investigator
  
  平尾公彦
- Project Period (FY)
  1997
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  工業物理化学
- Research Institution
  The University of Tokyo
複素座標法による分子の超励起状態および光イオン化過程の理論研究Principal Investigator
- Principal Investigator
  
  藪下聡
- Project Period (FY)
  1997 – 1998
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  物理学一般
- Research Institution
  Keio University
重原子系の化学反応理論のための電子状態理論Principal Investigator
- Principal Investigator
  
  藪下聡
- Project Period (FY)
  1995
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Keio University
レーザー励起法を用いたディスアラインメント断面積の決定とその理論的解析
- Principal Investigator
  
  藤本孝
- Project Period (FY)
  1995
- Research Category
  
  Grant-in-Aid for General Scientific Research (B)
- Research Field
  
  物理学一般
- Research Institution
  Kyoto University
重原子系の化学反応理論のための電子状態理論Principal Investigator
- Principal Investigator
  
  藪下聡
- Project Period (FY)
  1994
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Keio University
重原子系の電子状態理論と化学反応への応用Principal Investigator
- Principal Investigator
  
  薮下聡
- Project Period (FY)
  1993
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Chiba University
分子磁性の理論
- Principal Investigator
  
  山口兆
- Project Period (FY)
  1992 – 1994
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Osaka University
重原子系の電子状態理論と化学反応への応用Principal Investigator
- Principal Investigator
  
  薮下聡
- Project Period (FY)
  1992
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Hiroshima University
Through Space/Bond相互作用解析による機能性高分子のメカニズム解析
- Principal Investigator
  
  IMAMURA Akira
- Project Period (FY)
  1989
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Hiroshima University
Through Space/Bond相互作用解析による機能性高分子のメカニズム解析
- Principal Investigator
  
  今村詮
- Project Period (FY)
  1988
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Hiroshima University
Theoretical and Experimental Study on Electronic States and Reactivity of Molecules
- Principal Investigator
  
  IMAMURA Akira
- Project Period (FY)
  1988 – 1989
- Research Category
  
  Grant-in-Aid for Overseas Scientific Survey.
- Research Institution
  Hiroshima University
INVESTIGATION OF ELEMENTARY REACTION PATHS BY EXPERIMENTS AND THEORETICAL CALCULATIONS
- Principal Investigator
  
  SAITO Ko
- Project Period (FY)
  1987 – 1989
- Research Category
  
  Grant-in-Aid for General Scientific Research (B)
- Research Field
  
  物理化学一般
- Research Institution
  Hiroshima University
Formulation of Perturbation Theory for High-conductive Polymers and Biopolymers and its Application to Molecular Design of Polymer
- Principal Investigator
  
  IMAMURA Akira
- Project Period (FY)
  1986 – 1988
- Research Category
  
  Grant-in-Aid for General Scientific Research (B)
- Research Field
  
  物理化学一般
- Research Institution
  HIROSHIMA UNIVERSITY

[Book] 「量子論はどのようにして生まれたのか」化学と教育2010
- Author(s)
  藪下聡
- Data Source
  KAKENHI-PROJECT-21550024
[Book] 「シュレディンガー方程式をどう考えどう使うのか」化学と教育2010
- Author(s)
  藪下聡
- Data Source
  KAKENHI-PROJECT-21550024
[Book] 分子の本質を解く(4章)(ライフコンジュゲートケミストリー IV編)2006
- Author(s)
  藪下聡
- Total Pages
  15
- Publisher
  三共出版
- Data Source
  KAKENHI-PROJECT-18066015
[Book] ライフコンジュゲートケミストリーIV 編4章「分子の本質を解く」2006
- Author(s)
  藪下聡
- Publisher
  三共出版
- Data Source
  KAKENHI-PROJECT-18066015
[Book] ライフコンジュゲートケミストリー IV編 4章「分子の本質を解く」2006
- Author(s)
  藪下聡
- Total Pages
  15
- Publisher
  三共出版
- Data Source
  KAKENHI-PROJECT-18550023
[Book] ライフコンジュゲートケミストリーIV編4章「分子の本質を解く」2006
- Author(s)
  藪下聡
- Publisher
  三共出版
- Data Source
  KAKENHI-PROJECT-18066015
[Book] The Fifth Series of Experimental Chemistry, Vol.12 Computational Chemistry2004
- Author(s)
  S.Yabushita
- Total Pages
  18
- Publisher
  Maruzen Company LTD
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-13640516
[Book] 第5版実験化学講座12巻2004
- Author(s)
  藪下聡
- Total Pages
  18
- Publisher
  丸善(日本化学会編)
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-13640516
[Book] 第5版実験化学講座12巻(日本化学会編)2004
- Author(s)
  藪下聡
- Total Pages
  18
- Publisher
  丸善
- Data Source
  KAKENHI-PROJECT-14077217
[Journal Article] Graphical Transition Moment Decomposition and Conceptual Density Functional Theory Approaches to Study the Fundamental and Lower-Level Overtone Absorption Intensities of Some OH Stretching Vibrations2021
- Author(s)
  Tsuyuki Masafumi、Furudate Shunki、Kugaya Yuto、Yabushita Satoshi
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 125 Issue: 10 Pages: 2101-2113
- DOI
  10.1021/acs.jpca.0c11619
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K05435
[Journal Article] Size-Dependent πg + πu Combination Band Intensities of Polyynes C2nH2n Analyzed by the Local CCH Bending and the Linear Response Functions2021
- Author(s)
  Tsuyuki Masafumi、Kugaya Yuto、Kanamori Hideto、Yabushita Satoshi
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 125 Issue: 29 Pages: 6404-6419
- DOI
  10.1021/acs.jpca.1c04168
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K05435
[Journal Article] K-shell photoionization cross sections of one-electron uranium cation by relativistic complex basis function method2020
- Author(s)
  Furuhashi Naoto、Yabushita Satoshi
- Journal Title
  
  Journal of Physics B: Atomic, Molecular and Optical Physics
  
  Volume: － Issue: 12 Pages: 125003-125003
- DOI
  10.1088/1361-6455/ab7fc0
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05668
[Journal Article] Importance of the Parallel Component of the Transition Moments to the 1Π1 (5A’) and 3Π1 (3A’) Excited States of ICN in the ?-band Photodissociation2019
- Author(s)
  Kashimura Tatsuhiko、Yabushita Satoshi
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: - Issue: 18 Pages: 4000-4013
- DOI
  10.1021/acs.jpca.9b01127
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05668
[Journal Article] Ab initio investigation on the IOOBr isomers and reaction pathways of the IO+BrO Reaction2019
- Author(s)
  Tapas K. Ghosh, Satoshi Yabushita
- Journal Title
  
  International Journal of Research in Chemistry and Environment (IJRCE)
  
  Volume: 9 Pages: 1-9
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05668
[Journal Article] Potential energy surfaces and nonadiabatic transitions in the asymptotic regions of ICN photodissociation to study the interference effects in the F 1 and F 2 spin‐rotation levels of the CN products2018
- Author(s)
  Kashimura Tatsuhiko、Ikezaki Tomoya、Ohta Yusuke、Yabushita Satoshi
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 40 Issue: 2 Pages: 482-499
- DOI
  10.1002/jcc.25736
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05668
[Journal Article] Calculation of photoionization differential cross sections using complex Gauss-type orbitals2017
- Author(s)
  Matsuzaki Rei、Yabushita Satoshi
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 38 Issue: 23 Pages: 2030-2040
- DOI
  10.1002/jcc.24848
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05668, KAKENHI-PROJECT-16J01531
[Journal Article] Optimization of Complex Slater-type Functions with Analytic Derivative Methods for Describing Photoionization Differential Cross Sections2017
- Author(s)
  R.Matsuzaki, S.Yabushita
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 38 Issue: 12 Pages: 910-925
- DOI
  10.1002/jcc.24766
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-16J01531, KAKENHI-PROJECT-16K05668
[Journal Article] Theoretical Study on the Anion Photoelectron Spectra of Ln(COT)2-; Including the Spin-Orbit Effects2017
- Author(s)
  Erika Nakajo and Satoshi Yabushita
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 677 Pages: 259-264
- DOI
  10.1016/j.cplett.2017.04.049
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-16K05668
[Journal Article] Theoretical Study on the Photoelectron Spectra of Ln(COT)2-: Lanthanide Dependence of the Metal-Ligand Interaction2016
- Author(s)
  Erika Nakajo, Tomohide Masuda, and Satoshi Yabushita
- Journal Title
  
  Journal of Physical Chemistry, A
  
  Volume: 120 Issue: 48 Pages: 9529-9544
- DOI
  10.1021/acs.jpca.6b10930
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-16K05668
[Journal Article] Interpretation of Semiclassical Transition Moments through Wave Function Expansion of Dipole Moment Functions with Applications to the OH Stretching Spectra of Simple Acids and Alcohols2015
- Author(s)
  Hirokazu Takahashi, Kaito Takahashi, and Satoshi Yabushita
- Journal Title
  
  Journal of Physical Chemistry, A
  
  Volume: 119 Issue: 20 Pages: 4834-4845
- DOI
  10.1021/acs.jpca.5b02050
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550032
[Journal Article] A two-step electron-driven proton transfer mechanism for the solution-phase nonradiative decay process of squaraine molecule2015
- Author(s)
  Hitoshi Ozawa, Kazunori Yashiro, and Satoshi Yabushita
- Journal Title
  
  Chemical Physics Letters
  
  Volume: ６２５ Pages: 78-83
- DOI
  10.1016/j.cplett.2015.02.025
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550032
[Journal Article] Quantum Interference Effects Theoretically Found in the Photodissociation Processes of the Second Absorption Bands of ICl and IBr Molecules2015
- Author(s)
  Takahide Matsuoka and Satoshi Yabushita
- Journal Title
  
  Journal of Physical Chemistry, A
  
  Volume: 119 Issue: 37 Pages: 9609-9620
- DOI
  10.1021/acs.jpca.5b05146
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550032
[Journal Article] Near IR Emitting Red-Shifting Ratiometric Fluorophores Based on Borondipyrromethene2015
- Author(s)
  Hiruta, Yuki; Koiso, Hikaru; Ozawa, Hitoshi; Sato, Hiroyasu; Hamada, Kensaku; Yabushita, Satoshi; Citterio, Daniel; Suzuki, Koji
- Journal Title
  
  Organic Letters
  
  Volume: 17 Issue: 12 Pages: 3022-3025
- DOI
  10.1021/acs.orglett.5b01299
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550032
[Journal Article] 直接スピン軌道CI法における群論の利用2014
- Author(s)
  藪下聡
- Journal Title
  
  Journal of Computer Chemistry, Japan
  
  Volume: 13 Pages: 43-49
- NAID
  130003391630
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23550031
[Journal Article] Theoretical study of electronic excited states and the fluorescence spectra of squaraine in solutions2014
- Author(s)
  Hitoshi Ozawa, Kazunori Yashiro, Takuma Yamamoto, Satoshi Yabushita
- Journal Title
  
  Journal of Solution Chemistry
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23550031
[Journal Article] Theoretical study of the electronic excited states and fluorescence spectra of squaraine in solutions2014
- Author(s)
  Hitoshi Ozawa, Kazunori Yashiro, Takuma Yamamoto, and Satoshi Yabushita
- Journal Title
  
  Journal of Solution Chemistry
  
  Volume: ４３ Issue: 9-10 Pages: 1625-1643
- DOI
  10.1007/s10953-014-0224-x
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550032
[Journal Article] Mechanisms of f-f Hypersensitive Transition Intensities of Lanthanide Trihalide Molecules: A Spin-Orbit Configuration Interaction Study2014
- Author(s)
  M. Hatanaka, S. Yabushita
- Journal Title
  
  Theoretical Chemistry Accounts
  
  Volume: １３３ Issue: 8 Pages: 1517-1531
- DOI
  10.1007/s00214-014-1517-2
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550032, KAKENHI-PUBLICLY-26104519, KAKENHI-PROJECT-26810005
[Journal Article] Investigation of the Electronic Structures of Organolanthanide Sandwitch Complex Anions by Photoelec- tron Spectroscopy2014
- Author(s)
  Natsuki Hosoya, Keizo Yada, Tomohide Masuda, Erika Nakajo, Satoshi Yabushita, Atsushi Nakajima
- Journal Title
  
  J.Phys. Chem. A
  
  Volume: 118 Issue: 17 Pages: 3051-3060
- DOI
  10.1021/jp411660e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23550031, KAKENHI-PROJECT-24550032
[Journal Article] Atsushi Nakajima , Formation and Electronic Structures of Organoeuropium Sandwich Nanowires2014
- Author(s)
  Natsuki Hosoya, Ryuta Takegami, Jun-ichi Suzumura, Keizo Yada, Ken Miyajima, Masaaki Mitsui, Mark B. Knickelbein, Satoshi Yabushita
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 118 Issue: 37 Pages: 8298-8308
- DOI
  10.1021/jp5011007
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23550031, KAKENHI-PROJECT-24550018, KAKENHI-PROJECT-24550032
[Journal Article] Why does the IR spectrum of hydroxide stretching vibration weaken with increase in hydration?2014
- Author(s)
  Masato Morita, Hirokazu Takahashi, Satoshi Yabushita, Kaito Takahashi
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: １６ Issue: 42 Pages: 23143-23149
- DOI
  10.1039/c4cp03623a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550032
[Journal Article] Construction of complex STO-NG basis sets by the method of least squares and their applications2014
- Author(s)
  Rei Matsuzaki, Shigeko Asai, C. William McCurdy, Satoshi Yabushita
- Journal Title
  
  Theoretical Chemistry Accounts
  
  Volume: １３３ Issue: 9
- DOI
  10.1007/s00214-014-1521-6
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550032
[Journal Article] Theoretical study on the photofragment branching ratios and anisotropy parameters of ICl in the second absorption band2013
- Author(s)
  Takahide Matsuoka and Satoshi Yabushita
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 504 Issue: 4-6 Pages: 193-198
- DOI
  10.1016/j.cplett.2011.01.077
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23550031
[Journal Article] Theoretical study on the photofragment branching ratios and anisotropy parameters of Icl in the second absorption band2013
- Author(s)
  Takahide Matsuoka and Satoshi Yabushita
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 504(4-6) Pages: 193-198
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23550031
[Journal Article] Theoretical Analysis of Weak Adjacent Substituent Effect on the Overtone Intensities of XH (X = C, O) Stretching Vibrations2013
- Author(s)
  Hirokazu Takahashi and Satoshi Yabushita
- Journal Title
  
  Journal of Physical Chemistry、A
  
  Volume: 117 Issue: 26 Pages: 5491-5502
- DOI
  10.1021/jp312674r
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550032
[Journal Article] Theoretical Study on Angular Momentum Polarization Parameters, Branching Ratios, and Anisotropy Parameters of Chlorine Atoms from Photodissociation of Iodine Monochloride2012
- Author(s)
  Takahide Matsuoka, Sayo Oonishi and Satoshi Yabushita
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: (in press) Issue: 3 Pages: 375-381
- DOI
  10.1002/qua.24203
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550024, KAKENHI-PROJECT-23550031, KAKENHI-PROJECT-24550032
[Journal Article] An ab initio study on the f-f hypersensitive transition intensities of lanthanide tribromide molecules2011
- Author(s)
  Miho Hatanaka, Satoshi Yabushita
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 504(4-6) Pages: 193-198
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550024
[Journal Article] 量子論はどのようにして生まれたのか2010
- Author(s)
  藪下聡
- Journal Title
  
  化学と教育
  
  Volume: 58 Pages: 418-421
- Data Source
  KAKENHI-PROJECT-21550024
[Journal Article] シュレディンガー方程式をどう考えどう使うのか2010
- Author(s)
  藪下聡
- Journal Title
  
  化学と教育
  
  Volume: 58 Pages: 422-427
- Data Source
  KAKENHI-PROJECT-21550024
[Journal Article] Theoretical study on the f-f transition intensities of lanthanide trihalide systems2009
- Author(s)
  M. Hatanaka, S. Yabushita
- Journal Title
  
  J. Phys. Chem. A113
  
  Pages: 12615-12625
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066015
[Journal Article] Theoretical study on the f-f transition intensities of lanthanide trihalide systems2009
- Author(s)
  Miho Hatanaka, Satoshi Yabushita
- Journal Title
  
  Journal of Physical Chemistry
  
  Volume: A113(45) Pages: 12615-12625
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550024
[Journal Article] hotoionization cross sections of H_2^+and H_2 with complex Gaussian-type basis functions optimized for the frequency-dependent polarizabilities2008
- Author(s)
  M. Morita, S. Yabushita
- Journal Title
  
  J. Comp. Chem 29
  
  Pages: 2471-2478
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550023
[Journal Article] Theoretical study on the spin states and intra-cluster spin relaxation of the one-dimensional metal-benzene sandwich clusters : M2(C6H6)3 (M=Sc,Ti,V)2008
- Author(s)
  A.Goto, S.Yabushita
- Journal Title
  
  Chem. Phys. Lett. 454
  
  Pages: 382-386
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066015
[Journal Article] Photoionization cross sections with optimized orbital exponents within the complex basis function method2008
- Author(s)
  M. Morita, S. Yabushita
- Journal Title
  
  Chem. Phys 454
  
  Pages: 382-386
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550023
[Journal Article] Photoionization cross sections with optimized orbital exponents within the complex basis function method2008
- Author(s)
  M. Morita, S. Yabushita
- Journal Title
  
  J. Comp. Chem. 29
  
  Pages: 2317-2329
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066015
[Journal Article] Theoretical study on the spin states and intra-cluster spin relaxation of the one-dimensional metal-benzene sandwich clusters: M2(C6H6)3 (M=Sc, Ti, V)2008
- Author(s)
  A. Goto, S. Yabushita
- Journal Title
  
  Chem. Phys. Lett. 454
  
  Pages: 382-386
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066015
[Journal Article] Calculations of photoionization cross sections with variationally optimized complex Gaussian-type basis functions2008
- Author(s)
  M. Masato, S. Yabushita
- Journal Title
  
  J. Comp. Chem 29
  
  Pages: 2317-2329
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550023
[Journal Article] Calculations of photoionization cross sections with variationally optimized complex Gaussian-type basis functions2008
- Author(s)
  M. Morita, S. Yabushita
- Journal Title
  
  Chem. Phys. 349,1-3
  
  Pages: 126-132
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066015
[Journal Article] Stern-Gerlach experiments of one-dimensional metal-benzene sandwich clusters: Mn(C6H6)m (M= Al, Sc, Ti and V)2007
- Author(s)
  K. Miyajima, S. Yabushita, M.B. Knickelbein, A. Nakajima
- Journal Title
  
  J. Am. Chem. Soc. 129(27)
  
  Pages: 8473-8480
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066015
[Journal Article] Stern-Gerlach experiments of one-dimensional metal-benzene sandwich clusters : Mn(C6H6)m (M=Al, Sc, Ti and V)2007
- Author(s)
  K. Miyajima, S. Yabushita, M. B. Knickelbein, and A. Nakajima
- Journal Title
  
  J. Am. Chem. Soc. 129(27)
  
  Pages: 8473-8480
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066015
[Journal Article] A New Control Scheme of Multilevel Quantum System Based on Effective Decomposition by Intense CW Lasers2007
- Author(s)
  M. Sugawara, M. Tamaki, and S. Yabushita
- Journal Title
  
  J. Phys. Chem A111
  
  Pages: 9446-9453
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066015
[Journal Article] Photodissociation of gas-phase I3 - : comprehensive understanding of nonadiabatic dissociation dynamics2007
- Author(s)
  R. Nakanishi, N. Saito, T. Ohno, S. Kowashi, S. Yabushita, and T. Nagata
- Journal Title
  
  J. Chem. Phys. 126
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066015
[Journal Article] A New Control Scheme of Multilevel Quantum System Based on Effective Decomposition by Intense CW Lasers2007
- Author(s)
  M. Sugawara, M. Tamaki, S. Yabushita
- Journal Title
  
  J. Phys. Chem A111
  
  Pages: 9446-9453
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066015
[Journal Article] Photodissociation of gas-phase I3 -: comprehensive understanding of nonadiabatic dissociation dynamics2007
- Author(s)
  R. Nakanishi, N. Saito, T. Ohno, S. Kowashi, S. Yabushita, T. Nagata
- Journal Title
  
  J. Chem. Phys. 126
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] ルシャトリエの原理を使った電子密度の核座標微分の解釈2024
- Author(s)
  藪下聡
- Organizer
  第１８回分子科学討論会
- Data Source
  KAKENHI-PROJECT-20K05435
[Presentation] On the applicability of the CPKS equations without basis function derivative terms to the IR intensities of CH and OH vibrations2023
- Author(s)
  Satoshi Yabushita
- Organizer
  TACC2023 (The 5th Conference of Theory and Applications of Computational Chemistry)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05435
[Presentation] Vibrational Absorption Intensities Studied by the Linear and Nonlinear Response Functions2023
- Author(s)
  Satoshi Yabushita
- Organizer
  APATCC-10
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05435
[Presentation] Coupled perturbed Kohn-Sham方程式および線形応答理論による電子密度の核座標微分2023
- Author(s)
  藪下聡、久賀谷有人、露木雅文
- Organizer
  第１７回分子科学討論会
- Data Source
  KAKENHI-PROJECT-20K05435
[Presentation] Photoionization Cross Sections Calculated by the Complex Basis Function Method2022
- Author(s)
  Satoshi Yabushita
- Organizer
  IWP-RIXS 2022
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05435
[Presentation] Coupled perturbed Kohn-Sham/Hartree-Fock方程式における非同次項の表式2022
- Author(s)
  藪下聡、久賀谷有人、露木雅文
- Organizer
  第１６回分子科学討論会
- Data Source
  KAKENHI-PROJECT-20K05435
[Presentation] アルコール類OH基の伸縮振動の基音・倍音吸収強度に関する線形応答関数を用いた理論研究2021
- Author(s)
  露木雅文,　古館駿貴,　久賀谷有人,　藪下聡
- Organizer
  第23回理論化学討論会
- Data Source
  KAKENHI-PROJECT-20K05435
[Presentation] 直鎖ポリインC2nH2(n=1-9)の炭素鎖長に依存したπg+πu結合音強度のローカルCCH変角モードと線形応答関数による理論解析2021
- Author(s)
  露木雅文，久賀谷有人，金森英人，藪下聡
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-20K05435
[Presentation] 重原子の内殻からの光電子角度分布に関する複素基底関数法を用いた理論研究2019
- Author(s)
  古橋直人，藪下聡
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Relativistic effects in the K-shell photoionization differential cross sections of heavy elements with the complex basis function method2019
- Author(s)
  Naoto Furuhashi, Satoshi Yabushita
- Organizer
  Ninth conference of the Asia-Pacific Associaton of Theoretical and Computational Chemists (APATCC2019)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] 線形応答関数を利用したROH類分子のOH伸縮振動における双極子モーメント関数の核座標微分量の理論解析2019
- Author(s)
  久賀谷有人, 露木雅文, 藪下聡
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Theoretical studies of photon-molecule interactions2019
- Author(s)
  Satoshi Yabushita
- Organizer
  Taiwan-Japan Workshop on Theoretical Chemistry
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Quantum Interference Effects in ICN photodissociation reaction2019
- Author(s)
  Satoshi Yabushita, Tatsuhiko Kashimura
- Organizer
  Ninth conference of the Asia-Pacific Associaton of Theoretical and Computational Chemists (APATCC2019)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] ICN分子の遷移双極子モーメントの非コンドン効果：実験結果の再解釈2019
- Author(s)
  藪下　聡，鹿志村達彦
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Graphical and cDFT approaches to the study of fundamental and overtone absorption intensities of some OH stretching vibrations2019
- Author(s)
  Masafumi Tsuyuki, Shunki Furudate, Yuto Kugaya, Satoshi Yabushita,
- Organizer
  59th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] 水素結合系ROH…YのOH伸縮振動に伴う双極子モーメント関数の向きの変化に関する理論的研究2019
- Author(s)
  古舘駿貴，久賀谷有人，藪下聡
- Organizer
  日本化学会第99春季年会
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] 水素結合系ＸＨ…ＹにおけるＸＨ伸縮振動の基音及び倍音吸収強度に関する理論的研究2018
- Author(s)
  古舘駿貴，森本涼介，藪下聡
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] ローカルモード描像と線形応答関数による直鎖ポリイン分子のπg+πu結合音の吸収強度の理論解析2018
- Author(s)
  露木雅文，久賀谷有人、金森英人，藪下聡
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] ICN分子のAバンド光解離反応における量子干渉効果2018
- Author(s)
  鹿志村達彦,池崎智哉,太田悠介, 藪下　聡
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] 相対論効果を考慮した複素基底関数法による光イオン化断面積の理論計算2018
- Author(s)
  古橋直人，藪下聡
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] ROH類分子のOH伸縮振動における双極子モーメント関数とその核座標微分量の理論解析2018
- Author(s)
  久賀谷有人, 露木雅文, 藪下聡
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Theoretical study of quantum interference effects in photodissociation reactions2018
- Author(s)
  Satoshi Yabushita, Tatsuhiko Kashimura, Takahide Matsuoka
- Organizer
  7th JCS SYMPOSIUM
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] I2分子の低励起状態への遷移双極子モーメントと吸収スペクトルの理論計算2017
- Author(s)
  井上　知大、藪下　聡
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  慶應義塾大学（神奈川県・横浜市）
- Year and Date
  2017-03-16
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] 電子状態と分子動力学の接点2017
- Author(s)
  藪下聡
- Organizer
  第11回分子科学討論会
- Invited
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Ln(COT)2- の負イオン光電子スペクトルに関する理論的研究2017
- Author(s)
  中條恵理華，増田友秀，藪下聡
- Organizer
  第20回理論化学討論会
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Theoretical study on the non-statistical F1/F2 rotational fine structure level distribution in the A-band ICN photodissociation2017
- Author(s)
  Tatsuhiko Kashimura, Tomoya Ikezaki, Yusuke Ohta, and Satoshi Yabushita
- Organizer
  34th International Symposium on Free Radicals, Aug27-Sep 1,2017, Hayama, Japan
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] ICN分子のAバンド光解離生成物CNの回転微細構造準位F1/F2の非統計的分布に関する理論的研究2017
- Author(s)
  鹿志村達彦、池崎智哉、太田悠介、藪下聡
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  慶應義塾大学（神奈川県・横浜市）
- Year and Date
  2017-03-16
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Photoionization Cross Sections and Resonance State Energies with Optimized Complex Basis Functions2017
- Author(s)
  Satoshi Yabushita
- Organizer
  APCTCC8 (the eighth Asia-Pacific Conference of Theoretical and Computational Chemistry),IIT Bombay, Mumbai, India
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Hypersensitive transitions and metal-ligand interactions in lanthanide complexes2017
- Author(s)
  Satoshi Yabushita
- Organizer
  International Symposium "Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory, Tokyo Metropolitan University, Hachioji, Tokyo.
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] 複素基底関数法による光イオン化微分断面積の計算2017
- Author(s)
  松崎黎、藪下聡
- Organizer
  第20回理論化学討論会
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Quantum Interference Effects in Simple Photodissociation Reactions2016
- Author(s)
  Satoshi Yabushita1, Matsuoka Takahide1, and Tatsuhiko Kashimura1
- Organizer
  Stereodynamics 2016
- Place of Presentation
  Taipei, (Taiwan)
- Year and Date
  2016-11-06
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] 複素基底関数法と自由完員関数法を用いた水素分子自動イオン化状態の共鳴位置と幅の高精度計算2016
- Author(s)
  伊東容、渡邊輝比古、藪下聡
- Organizer
  日本化学会第96春季年会
- Place of Presentation
  同支社大学（京都府京田辺市）
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Non-statistical F1/F2 rotational distribution of the CN fragments derived from the A-band photodissociation of ICN2016
- Author(s)
  T. Kashimura, T. Ikezaki, Y. Ohta, S. Yabushita
- Organizer
  32nd symposium on chemical kinetics and dynamics
- Place of Presentation
  大宮ソニックシティ（埼玉県・さいたま市）
- Year and Date
  2016-06-01
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Morseポテンシャルの量子準位間の遷移強度に関する理論的研究2016
- Author(s)
  西　孝哲、高橋　博一、藪下　聡
- Organizer
  日本化学会第96春季年会
- Place of Presentation
  同支社大学（京都府京田辺市）
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] 複素GTO基底関数を用いた光イオン化微分断面積の計算手法の検討2016
- Author(s)
  松崎黎、藪下聡
- Organizer
  第10回分子科学討論会
- Place of Presentation
  神戸ファッションマート(兵庫県・神戸市)
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Ln(COT)2の負イオン光電子スペクトルに関する理論的研究2016
- Author(s)
  中條恵理華，増田友秀，藪下聡
- Organizer
  第10回分子科学討論会
- Place of Presentation
  神戸ファッションマート(兵庫県・神戸市)
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] OH基の振動に伴う酸とアルコールの分子内電荷分布の変化2016
- Author(s)
  保坂遼、藪下聡
- Organizer
  第10回分子科学討論会
- Place of Presentation
  神戸ファッションマート(兵庫県・神戸市)
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] 複素基底関数法と自由完員関数法を用いた水素分子自動イオン化状態の共鳴位置と幅の理論計算2016
- Author(s)
  伊東容，渡邊輝比古, 藪下聡
- Organizer
  第10回分子科学討論会
- Place of Presentation
  神戸ファッションマート(兵庫県・神戸市)
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-16K05668
[Presentation] Calculations of Photoionization Cross Sections and Resonance State Energies with Optimized Complex Basis Functions2016
- Author(s)
  Satoshi Yabushita
- Organizer
  The seventh Asia-Pacific Conference of Theoretical and Computational Chemistry, (APCTCC7)
- Place of Presentation
  Kaohsiung (Taiwan)
- Year and Date
  2016-01-25
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] ICN分子の光解離反応の漸近領域に関する理論的研究2016
- Author(s)
  鹿志村達彦、池崎智哉、太田悠介、藪下聡
- Organizer
  日本化学会第96春季年会
- Place of Presentation
  同支社大学（京都府京田辺市)
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] 直鎖ポリインの最低変角振動数モードの基音励起に関する振動・回転スペクトルの理論予測とその炭素鎖長依存性の解析2016
- Author(s)
  露木雅文、金森英人、藪下聡
- Organizer
  日本化学会第96春季年会
- Place of Presentation
  同支社大学（京都府京田辺市）
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Quantum interference effect observed in various properties of photofragments of simple molecules2015
- Author(s)
  Takahide Matsuoka, Satoshi Yabushita
- Organizer
  2015 International Chemical Congress of Pacific Basin Societies
- Place of Presentation
  Honolulu (USA)
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Quantum and semiclassical studies of weak adjacent substituent effect on the overtone intensities for the XH (X=C,O) stretching vibrations2015
- Author(s)
  Hirokazu Takahashi, Kaito Takahashi, and Satoshi Yabushita
- Organizer
  2015 International Chemical Congress of Pacific Basin Societies
- Place of Presentation
  Honolulu (USA)
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] ポリインのπg+πu結合音吸収強度のローカルモード描像による理論解析2015
- Author(s)
  露木雅文、金森英人、藪下聡
- Organizer
  第９回分子科学討論会
- Place of Presentation
  東京工業大学（東京都・目黒区）
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Theoretical Studies of the Intensities for XH (X=C,O) Stretching Vibrations2015
- Author(s)
  Satoshi Yabushita
- Organizer
  Theoretical Symposium “Frontiers of Quantum Chemistry”,
- Place of Presentation
  関西学院大学（兵庫県・西宮市）
- Year and Date
  2015-11-11
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Optimization of complex orbital exponents by analytical gradient method for photoelectron angular distributions2015
- Author(s)
  Rei Matsuzaki and SatoshiYabushita
- Organizer
  2015 International Chemical Congress of Pacific Basin Societies
- Place of Presentation
  Honolulu (USA)
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] OH基の振動に伴って生じる酸とアルコールの分子内電荷分布の変化に関する理論研究2015
- Author(s)
  保坂遼、露木雅文、佐々木貴雅、藪下聡
- Organizer
  第９回分子科学討論会
- Place of Presentation
  東京工業大学（東京都・目黒区）
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] ICN分子のdynamical state間の非断熱遷移に関する理論的研究2015
- Author(s)
  鹿志村達彦、池崎智哉、太田悠介、藪下聡
- Organizer
  第９回分子科学討論会
- Place of Presentation
  東京工業大学（東京都・目黒区)
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] c-積の意味で規格化された複素STO-NG基底の作成とその光イオン化断面積の計算への応用2015
- Author(s)
  松崎黎、　藪下　聡
- Organizer
  第１8回理論化学討論会
- Place of Presentation
  大阪大学（大阪府・豊中市）
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] 量子論および半古典論による分子内OH伸縮振動の基音及び高次倍音吸収強度2015
- Author(s)
  高橋博一、高橋開人、藪下聡
- Organizer
  第１8回理論化学討論会
- Place of Presentation
  大阪大学（大阪府・豊中市）
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Ln-COT錯体の電子構造における電子相関効果の影響2015
- Author(s)
  中條恵理華，増田友秀，藪下聡
- Organizer
  第９回分子科学討論会
- Place of Presentation
  東京工業大学（東京都・目黒区)
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Dynamical State表現を用いたICN分子の光解離生成物CNの回転微細構造準位に見られる非統計性に関する理論的研究2015
- Author(s)
  鹿志村達彦，太田悠介，池崎智哉, 藪下聡
- Organizer
  第１8回理論化学討論会
- Place of Presentation
  大阪大学（大阪府・豊中市）
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Vibrational analysis for polyynes of various lengths using local mode model and vibrational self-consistent field method2015
- Author(s)
  M. Tsuyuki, H. Kanamori, S.Yabushita
- Organizer
  2015 International Chemical Congress of Pacific Basin Societies
- Place of Presentation
  Honolulu (USA)
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] 基底関数に含まれる軌道指数を用いた解析接続法による光イオン化断面積の変分計算2015
- Author(s)
  森田将人、松崎黎、藪下聡
- Organizer
  第12回京都大学福井謙一記念研究センターシンポジウム
- Place of Presentation
  京都大学福井謙一記念研究センター
- Year and Date
  2015-01-23
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] ICN 分子の光解離生成物 I+CN 間の相互作用ポテンシャルに関する理論的研究2013
- Author(s)
  池崎智哉, 太田悠介, 藪下聡
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] Quantum interference effect observed in the angular momentum polarization and the branching ratio of photofragments of simple molecules2013
- Author(s)
  Matsuoka, Takahide; Ikezaki, Tomoya; Ohta, Yusuke; Yabushita, Satoshi
- Organizer
  5th Japan-Czech-Slovakia International Symposium on Theoretical Chemistry
- Place of Presentation
  Nara
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] ヨウ化物負イオン錯体の幾何構造と励起状態に関する理論的研究2013
- Author(s)
  得丸暁史, 今井章裕, 藪下聡
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] 量子論と半古典論による ICl 分子の光解離過程における量子干渉効果2013
- Author(s)
  松岡貴英, 藪下聡
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] Theoretical study on the absorption and emission spectra of squaraine molecule in solvents2013
- Author(s)
  Ozawa, Hitoshi; Yashiro, Kazunori; Yamamoto, Takuma; Yabushita, Satoshi
- Organizer
  33rd International Conference on Solution Chemistry
- Place of Presentation
  Kyoto
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] 量子論と半古典論によるICl分子の光解離過程における量子干渉効果2013
- Author(s)
  松岡貴英，藪下聡
- Organizer
  第7回分子科学学会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] Theoretical calculations of photoionization cross sections with variationally optimizated frequency-dependent polarizability2013
- Author(s)
  Masato MORITA, Rei MATSUZAKI and Satoshi Yabushita
- Organizer
  International Conference “Current Trends in Theoretical Chemistry VI
- Place of Presentation
  Jagiellonian Univ. Kraków, Poland
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] 量子化学計算によるスクアレン分子の無輻射遷移過程の研究2013
- Author(s)
  小澤仁嗣, 八代和徳, 山本拓磨, 藪下聡
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] ランタノイド-シクロオクタテトラエン負イオン錯体の脱離エネルギーにおけるランタノイド依存性2013
- Author(s)
  中條恵理華, 増田友秀, 藪下聡
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] 量子化学計算によるスクアレン分子の無輻射遷移過程の研究2013
- Author(s)
  小澤仁嗣，八代和徳，山本拓磨，藪下聡
- Organizer
  第7回分子科学学会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] ICl分子の光解離過程における量子干渉効果2013
- Author(s)
  松岡貴英、藪下聡
- Organizer
  日本化学会第９３春季年会
- Place of Presentation
  滋賀県草津
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] Ln(COT)2- 錯体（Ln=La~Lu）の電子状態に関する理論的研究2013
- Author(s)
  中條恵理華、増田友秀、藪下聡
- Organizer
  第１６回理論化学討論会
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] Ln(COT)_2 -錯体( Ln=La~Lu )の電子状態に関する理論的研究2013
- Author(s)
  中條恵理華, 増田友秀, 藪下聡
- Organizer
  第16回理論化学討論会
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] ランタノイド-シクロオクタテトラエン負イオン錯体の脱離エネルギーにおけるランタノイド依存性2013
- Author(s)
  中條恵理華、増田友秀、藪下聡
- Organizer
  第7回分子科学学会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] 基底関数の軌道指数を用いた振動数依存分極率の解析接続法による光イオン化断面積の変分的計算2013
- Author(s)
  森田将人、藪下聡
- Organizer
  第１６回理論化学討論会
- Place of Presentation
  福岡市健康づくりサポートセンター　あいれふ
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] 複素基底関数法による基底関数セットの最適化2013
- Author(s)
  松崎黎、　藪下　聡
- Organizer
  第１６回理論化学討論会
- Place of Presentation
  福岡市健康づくりサポートセンター　あいれふ
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] ICN分子の光解離生成物I+CN間の相互作用ポテンシャルに関する理論的研究2013
- Author(s)
  池崎智哉, 太田悠介、藪下聡
- Organizer
  第7回分子科学学会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] ヨウ化物負イオン錯体の幾何構造と励起状態に関する理論的研究2013
- Author(s)
  得丸暁史、今井章裕、藪下聡
- Organizer
  第7回分子科学学会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] OH, CHの基音・倍音伸縮振動強度を通して見る分子内電子密度の変化に関する理論的研究2013
- Author(s)
  高橋博一、藪下聡
- Organizer
  日本化学会第９３春季年会
- Place of Presentation
  立命館大学くさつキャンパス
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] ICl 分子の光解離過程における量子干渉効果2013
- Author(s)
  松岡貴英, 藪下聡
- Organizer
  日本化学会第93春季年会
- Place of Presentation
  滋賀県草津
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] 半古典論によるICl分子の光解離過程における量子干渉効果の評価2013
- Author(s)
  松岡貴英，藪下聡
- Organizer
  第１６回理論化学討論会
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] 複素基底関数法による複素軌道指数最適化2013
- Author(s)
  松崎黎、　藪下　聡
- Organizer
  第７回分子科学討論会
- Place of Presentation
  京都市　京都テレサ
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] 半古典論による ICl 分子の光解離過程における量子干渉効果の評価2013
- Author(s)
  松岡貴英, 藪下聡
- Organizer
  第16回理論化学討論会
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] 光電子連続状態を記述するための複素軌道指数の最適化2013
- Author(s)
  松崎黎，藪下聡
- Organizer
  原子衝突学会第 38 回年会
- Place of Presentation
  和光市、理化学研究所
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Theoretical study on weak adjacent substituent effect on the overtone intensities for the XH (X=C,O) stretching vibrations2013
- Author(s)
  Hirokazu Takahashi and Satoshi Yabushita
- Organizer
  International Conference “Current Trends in Theoretical Chemistry VI
- Place of Presentation
  Jagiellonian Univ. Kraków, Poland
- Invited
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] ランタノイド-シクロオクタテトラエン錯体の電子状態に関する理論的研究2013
- Author(s)
  中條恵理華、増田友秀、藪下聡
- Organizer
  日本化学会第９３春季年会
- Place of Presentation
  立命館大学くさつキャンパス
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] 複素基底関数法による光イオン化断面積の理論計算2012
- Author(s)
  松崎黎、　藪下　聡
- Organizer
  第６回分子科学討論会
- Place of Presentation
  東京大学
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] ICl 分子の光解離過程におけるベクトル相関に関する理論的研究2012
- Author(s)
  松岡貴英, 藪下聡
- Organizer
  第6回分子科学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] ICl の光解離生成物 Cl が示す角運動量分極と解離方向異方性に関する理論的研究2012
- Author(s)
  松岡貴英, 大西紗代, 藪下聡
- Organizer
  第15回理論化学討論会
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] Theoretical calculations of photoionization cross sections with the variationally optimized frequency-dependent polarizability2012
- Author(s)
  Satoshi Yabushita, Masato Masato
- Organizer
  YITP workshop, “Resonances and non-Hermitian systems in quantum mechanics
- Place of Presentation
  Maskawa Hall, Kyoto univ
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Theoretical calculation of photoionizing continuum orbitals by variationally optimizing complex basis functions2012
- Author(s)
  Rei Matsuzaki, Satoshi Yabushita
- Organizer
  YITP workshop, “Resonances and non-Hermitian systems in quantum mechanics
- Place of Presentation
  Maskawa Hall, Kyoto univ
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] ICl の光解離生成物 Cl が示す角運動量分極と解離方向異方性に関する理論的研究2012
- Author(s)
  松岡貴英，大西紗代，藪下聡
- Organizer
  第15 回理論化学討論会
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] 複素基底関数法による軌道指数最適化法の開発と光イオン化の角度分布の理論計算への応用2012
- Author(s)
  松崎黎、藪下聡
- Organizer
  第１５回理論化学討論会
- Place of Presentation
  仙台市、福祉プラザ
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] IClの光解離過程とその解離生成物Cl(^2<P>_<3/2>)が示す角運動量分極に関する理論的研究2012
- Author(s)
  松岡貴英、大西紗代、藪下聡
- Organizer
  日本化学会92春季年会
- Place of Presentation
  慶應義塾大学
- Year and Date
  2012-03-25
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] 振動数依存分極率の複素軌道指数に関する解析的微分法の開発とその光イオン化断面積および異方性パラメータの理論計算への応用2012
- Author(s)
  松崎黎、藪下聡
- Organizer
  日本化学会92春季年会
- Place of Presentation
  慶應義塾大学
- Year and Date
  2012-03-25
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] ICl分子の光解離過程におけるベクトル相関に関する理論的研究2012
- Author(s)
  松岡貴英, 藪下聡
- Organizer
  第6 回分子科学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23550031
[Presentation] ICl の光解離生成物 Cl が示す角運動量分極と解離方向異方性に関する理論的研究2012
- Author(s)
  松岡貴英，大西紗代，藪下聡
- Organizer
  第１５回理論化学討論会
- Place of Presentation
  東京大学
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] 振動数依存分極率の複素軌道指数に関する解析的微分法とその光イオン化断面積の理論計算への応用2011
- Author(s)
  為村篤、藪下聡
- Organizer
  日本化学会91春季年会
- Place of Presentation
  神奈川大学
- Year and Date
  2011-03-27
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] Theoretical study on angular momentum polarization of photofragment of ICl2011
- Author(s)
  T. Matsuoka, S. Oonishi, S. Yabushita
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics
- Place of Presentation
  Waseda univ
- Year and Date
  2011-09-03
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] Electronic structure calculations for molecules containing heavy elements2011
- Author(s)
  S. Yabushita
- Organizer
  Fundamental Physics Using Atoms 2011
- Place of Presentation
  Okayama
- Year and Date
  2011-10-09
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] Electronic structure calculations for molecules containing heavy elements2011
- Author(s)
  YABUSHITA Satoshi
- Organizer
  Fundamental Physics Using Atoms 2011
- Place of Presentation
  岡山大学(招待講演)
- Year and Date
  2011-10-09
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] OH伸縮振動に伴う分子内の電荷分布の変化と倍音吸収強度の置換基依存性に関する理論的研究2011
- Author(s)
  高橋博一、藪下聡
- Organizer
  日本化学会91春季年会
- Place of Presentation
  神奈川大学
- Year and Date
  2011-03-27
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] Calculation of rate constant for excitation energy transfer by Fermi's golden rule2011
- Author(s)
  T. Yamamoto, S. Yabushita
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics
- Place of Presentation
  Waseda univ
- Year and Date
  2011-09-04
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] On the use of complex optimized GTOs for the efficient calculations of resonance state energies and photoionization cross-sections2010
- Author(s)
  藪下聡
- Organizer
  The 69^<th> Okazaki Conference on "New Frontier in Quantum Chemical Dynamics"
- Place of Presentation
  岡崎コンファレンスセンター岡崎市
- Year and Date
  2010-02-21
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] Spin-orbit CI Studies on the Photoabsorption and Photodissociation of Simple Molecules2010
- Author(s)
  S. Yabushita
- Organizer
  in International Symposium on Molecular Theory for Real Systems
- Place of Presentation
  Kyoto.
- Year and Date
  2010-01-08
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] 光イオン化断面積の計算のために解析接続された振動数依存分極率と最適化された複素軌道指数の光子エネルギー依存性2010
- Author(s)
  森田、藪下
- Place of Presentation
  札幌
- Year and Date
  2010-05-25
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] ランタノイド三ハロゲン化物のhypersensitive遷移に関する理論的研究2010
- Author(s)
  畑中、藪下
- Place of Presentation
  大阪
- Year and Date
  2010-09-14
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] Spin-orbit CI Studies on the Photoabsorption and Photodissociation of Simple Molecules2010
- Author(s)
  藪下
- Organizer
  International Symposium on Molecular Theory for Real Systems
- Place of Presentation
  Kyoto
- Year and Date
  2010-01-08
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] Spin-orbit CI Studies on the Photoabsorption and Photodissociation of Simple Molecules2010
- Author(s)
  藪下聡
- Organizer
  International Symposium on Molecular Theory for Real Systems
- Place of Presentation
  京都大学福井謙一記念研究センター
- Year and Date
  2010-01-08
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] On the use of complex optimized GTOs for the efficient calculations of resonance state energies and photoionization cross-sections2010
- Author(s)
  藪下, 森田
- Organizer
  The 69^<th> Okazaki Conference on "New Frontier in Quantum Chemical Dynamics"
- Place of Presentation
  Okazaki
- Year and Date
  2010-02-21
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] 光イオン化過程の理論研究のための複素座標法の開発2009
- Author(s)
  藪下聡、共鳴状態
- Organizer
  計算科学ワークショップ2009
- Place of Presentation
  岡崎
- Year and Date
  2009-01-20
- Data Source
  KAKENHI-PROJECT-18550023
[Presentation] 光イオン化断面積の計算に最適化された複素軌道指数の振る舞い2009
- Author(s)
  森田将人、藪下聡
- Organizer
  次世代ナノ統合シミュレーション第3回公開シンポジウム
- Place of Presentation
  岡崎
- Year and Date
  2009-03-05
- Data Source
  KAKENHI-PROJECT-18550023
[Presentation] 自動イオン化領域で変分的に最適化された複素軌道指数の振る舞いの解析2009
- Author(s)
  森田将人、藪下聡
- Organizer
  日本化学会第89春季年会
- Place of Presentation
  船橋
- Year and Date
  2009-03-28
- Data Source
  KAKENHI-PROJECT-18550023
[Presentation] Theoretical study on the f-f transition intensities of lanthanide trihalide systems2009
- Author(s)
  S. Yabushita
- Organizer
  International Symposium on Theory of Molecular Structure, Function and Reactivity, Celebrating Prof. Morokuma's 75th Birthday
- Place of Presentation
  Kyoto.
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] Theoretical study on the f-f transition intensities of lanthanide trihalide systems2009
- Author(s)
  藪下聡
- Organizer
  International Symposium on Theory of Molecular Structure, Function and Reactivity to the celebration of the 75th Birthday of Prof. Keiji Morokuma
- Place of Presentation
  京都大学福井謙一記念研究センター
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] ランタノイド三ハロゲン化物のf-f遷移強度に関する理論的研究2009
- Author(s)
  畑中美穂、藪下聡
- Organizer
  日本化学会第89春季年会
- Place of Presentation
  船橋市、日本大学理工学部
- Year and Date
  2009-03-28
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] 光イオン化断面積について最適化された複素軌道指数が共鳴状態に関連して示す特異的な振る舞い2009
- Author(s)
  森田将人、藪下聡
- Organizer
  第三回分子科学討論会
- Place of Presentation
  名古屋
- Year and Date
  2009-09-21
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] Theoretical study on the f-f transition intensities of lanthanide trihalide systems2009
- Author(s)
  藪下, 畑中
- Organizer
  諸熊博士誕生日記念シンポジウム
- Place of Presentation
  京都大学
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] 「共鳴状態、光イオン化過程の理論研究のための複素座標法の開発」、計算科学研究センター・ワークショップ「次世代理論化学の新展開と超並列計算への挑戦」2009
- Author(s)
  藪下聡
- Place of Presentation
  岡崎コンファレンスセンター、岡崎。
- Year and Date
  2009-01-20
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] 光イオン化断面積の計算のために最適化された複素軌道指数の共鳴領域における振る舞い2009
- Author(s)
  森田将人、藪下聡
- Organizer
  第12回理論化学討論会
- Place of Presentation
  東京
- Year and Date
  2009-05-30
- Data Source
  KAKENHI-PROJECT-21550024
[Presentation] CsI分子の光解離過程の理論的考察2008
- Author(s)
  松岡貴英、藪下聡
- Organizer
  第11回理論化学討論会
- Place of Presentation
  横浜市、慶應義塾大学
- Year and Date
  2008-05-23
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] Theoretical study on the electronic and geometric structures of lanthanoid-cyclooctatetraene Ln(COT)_2-complexes2008
- Author(s)
  S. Yabushita
- Organizer
  The 2^<nd> International Symposium on Molecular Theory for Real Systems
- Place of Presentation
  岡崎会議場、分子研、岡崎
- Year and Date
  2008-08-04
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] 複素座標法計算における基底関数に対する解析的微分法による共鳴状態の独立最適化2008
- Author(s)
  前川智亮、藪下聡
- Place of Presentation
  横浜
- Year and Date
  2008-05-22
- Data Source
  KAKENHI-PROJECT-18550023
[Presentation] CsIの光解離過程に関する理論的考察2008
- Author(s)
  松岡貴英、藪下聡
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡市、福岡国際会議場
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] 光イオン化断面積の計算に最適化された複素GTOの講師エネルギー依存性2008
- Author(s)
  森田将人、藪下聡
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡
- Year and Date
  2008-09-25
- Data Source
  KAKENHI-PROJECT-18550023
[Presentation] Optimization of complex orbital exponents for efficient calculation of photoionization cross section2008
- Author(s)
  M. Morita, S. Yabushita
- Organizer
  The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  Tokyo
- Year and Date
  2008-06-06
- Data Source
  KAKENHI-PROJECT-18550023
[Presentation] スピン軌道相互作用を含む遷移モーメントの計算方法2008
- Author(s)
  畑中美穂、藪下聡
- Organizer
  第11回理論化学討論会
- Place of Presentation
  横浜市、慶應義塾大学
- Year and Date
  2008-05-22
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] 1次元サンドイッチクラスターの電子状態2008
- Author(s)
  藪下聡
- Organizer
  次世代スーパーコンピュータプロジェクトナノ分野グランドチャレンジ研究開発ナノ統合拠点分子科学wg連続研究会元素戦略・ナノクラスター連続研究会
- Place of Presentation
  分子科学研究所、岡崎.
- Year and Date
  2008-12-10
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] 複素座標法による電子共鳴状態の計算における計算における解析的微分法を用いた複素数基底関数の最適化2008
- Author(s)
  前川智亮、藪下聡
- Organizer
  福岡
- Place of Presentation
  福岡
- Year and Date
  2008-09-25
- Data Source
  KAKENHI-PROJECT-18550023
[Presentation] Theoretical study on the electronic and geometric structures of lanthanoid-cyclooctatetraene Ln(COT)2 - complexes2008
- Author(s)
  S. Yabushita
- Organizer
  The 2nd international symposium on molecular theory for real systems
- Place of Presentation
  Okazaki
- Year and Date
  2008-08-04
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] Theoretical study on the electronic and geometric structures of lanthanoid-cyclooctatetraene Ln(COT)2 - complexes2008
- Author(s)
  S. Yabushita
- Organizer
  The 2nd international symposium on molecular theory for real systems
- Place of Presentation
  Okazaki.
- Year and Date
  2008-08-04
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] スピン軌道相互作用を含む遷移双極子モーメントの計算方法2008
- Author(s)
  畑中美穂、藪下聡
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡市、福岡国際会議場
- Year and Date
  2008-09-27
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] Calculations of photoionization cross sections with the variationally optimized gaussian-type complex basis functions2007
- Author(s)
  S. Yabushita
- Organizer
  The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
- Place of Presentation
  Kyoto.
- Year and Date
  2007-12-09
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] スピン軌道ci法による分子の解離過程の理論計算2007
- Author(s)
  藪下聡
- Organizer
  自然科学研究機構計算科学研究センタースーパーコンピュータワークショップ2007
- Place of Presentation
  岡崎コンファレンスセンター、岡崎.
- Year and Date
  2007-02-27
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] Calculations of photoionization cross sections with the variationally optimized gaussian-type complex basis functions2007
- Author(s)
  Satoshi YABUSHITA
- Organizer
  The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
- Place of Presentation
  京都大学福井謙一記念研究センター
- Data Source
  KAKENHI-PROJECT-18550023
[Presentation] 希土類元素を含む量子化学計算2007
- Author(s)
  藪下聡
- Organizer
  日本化学会関東支部大会
- Place of Presentation
  首都大学東京、東京
- Year and Date
  2007-09-27
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] スピン軌道ci法による分子の光吸収および光分解反応の理論計算2007
- Author(s)
  藪下聡
- Organizer
  新化学発展協会・先端化学技術部会講演会
- Place of Presentation
  東京
- Year and Date
  2007-10-11
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] Electronic and geometric structures of multiple-decker sandwich clusters of Vn(C6H6)n+1 and Lnn(C8H8)m ", in Practicing Chemistry with Theoretical Tools2007
- Author(s)
  S. Yabushita
- Organizer
  on the occasion of Mark S. Gordon's 65th birthday
- Place of Presentation
  Hawaii, USA.
- Year and Date
  2007-01-17
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] スピン軌道CI法による分子の解離過程の理論計算2007
- Author(s)
  藪下聡
- Organizer
  自然科学研究機構計算科学研究センタースーパーコンピュータワークショップ2007
- Place of Presentation
  岡崎コンファレンスセンター
- Year and Date
  2007-02-27
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] Calculations of photoionization cross sections with the variationally optimized gaussian-type complex basis functions2007
- Author(s)
  S. Yabushita
- Organizer
  The 2^<nd> Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
- Place of Presentation
  Kyoto
- Year and Date
  2007-12-07
- Data Source
  KAKENHI-PROJECT-18550023
[Presentation] Non-crossing type nonadiabatic transitions in diatomic hologen and interhalogen molecules2006
- Author(s)
  S. Yabushita
- Organizer
  2006 Annual Meeting of Chemical Society (Invited Lecture in Theoretical Chemistry session)
- Place of Presentation
  Tamkang University, Taipei, Taiwan
- Year and Date
  2006-11-25
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] Non-crossing type nonadiabatic transitions in diatomic hologen and interhalogen molecules2006
- Author(s)
  S. Yabushita
- Organizer
  2006 Annual Meeting of Chemical Society
- Place of Presentation
  Tamkang University, Taipei, Taiwan.
- Year and Date
  2006-11-25
- Data Source
  KAKENHI-PROJECT-18066015
[Presentation] 複素STO-NG基底の構築
- Author(s)
  松崎黎、　藪下　聡
- Organizer
  第１７回理論化学討論会
- Place of Presentation
  名古屋大学、名古屋市
- Year and Date
  2014-05-22 – 2014-05-24
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] ポリインの最低変角振動波数およびその吸収強度が三重結合の本数の二乗に逆比例する理由
- Author(s)
  露木雅文、金森英人、藪下聡
- Organizer
  第８回分子科学討論会
- Place of Presentation
  広島大学、東広島市
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] ICN分子の光解離反応における生成物CNの回転運動に起因する非断熱遷移に関する理論的研究
- Author(s)
  池崎智哉, 太田悠介、藪下聡
- Organizer
  第８回分子科学討論会
- Place of Presentation
  広島大学、東広島市
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Theoretical study of quantum interference effects in photodissociation reactions studied by spin-orbit CI calculations
- Author(s)
  Satoshi Yabushita ,Takahide Matsuoka, Tomoya Ikezaki
- Organizer
  ICCMSE 2015
- Place of Presentation
  Athens, Greece, Metropolitan Hotel
- Year and Date
  2015-02-20 – 2015-03-23
- Invited
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Quantum interference effect observed in photofragments of simple molecules
- Author(s)
  Takahide Matsuoka, Tomoya Ikezaki, Yusuke Ohta, and Satoshi Yabushita
- Organizer
  XIXth International Workshop on Quantum Systems in Chemistry, Physics and Biology
- Place of Presentation
  Tamkan University, New Taipei City, Taiwan
- Year and Date
  2014-11-11 – 2014-11-17
- Invited
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] スクアレン（SQ-DMA）分子の溶液内無輻射遷移過程の理論的研究
- Author(s)
  小澤仁嗣，八代和徳，山本拓磨，藪下聡
- Organizer
  第８回分子科学討論会
- Place of Presentation
  広島大学、東広島市
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Theoretical Study on the Ln Dependence of Ln(COT)2 Photoelectron Spectra
- Author(s)
  Erika Nakajo, Tomohide Masuda, and Satoshi Yabushita
- Organizer
  17th International Symposium on Small Particles and Inorganic Clusters (ISSPIC-XVII)
- Place of Presentation
  Fukuoka
- Year and Date
  2014-09-09 – 2014-09-12
- Data Source
  KAKENHI-PROJECT-24550032
[Presentation] Ln(COT)2錯体の光電子スペクトルにおけるランタノイド依存性の理論的研究
- Author(s)
  中條恵理華、増田友秀、藪下聡
- Organizer
  第１７回理論化学討論会
- Place of Presentation
  名古屋大学、名古屋市
- Year and Date
  2014-05-22 – 2014-05-24
- Data Source
  KAKENHI-PROJECT-24550032

1. SAITO Ko (00033853)

# of Collaborated Projects: 5 results

# of Collaborated Products: 0 results
2. IMAMURA Akira (70076991)

# of Collaborated Projects: 4 results

# of Collaborated Products: 0 results
3. SUGAWARA Michihiko (40276415)

# of Collaborated Projects: 4 results

# of Collaborated Products: 2 results
4. IWATA Suehiro (20087505)

# of Collaborated Projects: 3 results

# of Collaborated Products: 0 results
5. YAMABE Sin-ichi (00109117)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
6. KANDA Katsuya (10169790)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
7. MATSUZAWA Hidenori (30260847)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
8. MATSUSHITA Toshio (80229468)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
9. HOSOYA Haruo (10017204)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
10. TAKANO Keiko (00143701)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
11. KOGA Nobuaki (80186650)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
12. HASHIMOTO Kenro (40202254)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
13. OHSAKU Masaru (70033884)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
14. KAKUMOTO Terumitsu (50185724)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
15. 青木百合子 (10211690)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
16. 山口兆 (80029537)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
17. 北原和夫 (20107692)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
18. 高橋實 (40029731)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
19. 那須奎一郎 (90114595)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
20. 福留秀雄 (90025289)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
21. 藤本孝 (90026203)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
22. 平尾公彦 (70093169)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
23. 山下晃一 (40175659)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
24. 高塚和夫 (70154797)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
25. 永瀬茂 (30134901)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
26. 榊茂好 (20094013)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
27. 茅幸二 (10004425)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
28. 青柳睦 (00260026)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
29. 山本茂義 (80230548)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
30. 和佐田裕昭 (90240796)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
31. MORITA Masato

# of Collaborated Projects: 1 results

# of Collaborated Products: 6 results
32. 長嶋雲兵

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
33. S.H. Bauer

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
34. R. Hoffmann

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
35. HOFFMANN R.

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
36. BAUER S.H.

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

YABUSHITA Satoshi 藪下 聡

藪下 聡 ヤブシタ サトシ

薮下 聡 ヤブシタ サトシ

Research Projects

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Development and applications of theoretical computational methods for molecular response propertiesPrincipal Investigator

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Theoretical study of resonance states and photoionization of atoms and moleculesPrincipal Investigator

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Theoretical study of photoionization cross sections optimized by the analytical derivative method within the complex coordinate approach.Principal Investigator

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Theoretical study on resonance states and photoionization processes with the combination of complex coordinate method and analytical derivative methodPrincipal Investigator

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Development of the relativistic theory for electronic statesPrincipal Investigator

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Theoretical studies on atomic and molecular resonance states and photoionization processes with the complex coordinate methodPrincipal Investigator

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強光子場による量子状態制御理論の構築Principal Investigator

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Theoretical studies on superexcited states and photoionization processes of molecules by analytical continuation of Hamiltonian.Principal Investigator

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Relativistic Electronic Structure Theory and Its Applications to Chemical ReactionsPrincipal Investigator

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Development of the Quantum Chemistry Literature Data Base System for InternetPrincipal Investigator

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YABUSHITA Satoshi 藪下聡

藪下聡ヤブシタサトシ

薮下聡ヤブシタサトシ