ATSUMI Teruo 渥美照夫

Researcher Number	30514210
Other IDs
Affiliation (based on the past Project Information) *help	2009: 早稲田大学, 理工学術院, 助手
Review Section/Research Field	Except Principal Investigator Science and Engineering
Keywords	Except Principal Investigator 核 / 電子軌道理論 / 非経験的分子動力学法 / 分割統治電子相関法 / エネルギー密度解析 / 局所応答分散力法 / 凍結軌道解析 / 核・電子軌道理論 / 量子効果 / 高速化 … More / 高精度化 / 量子ダイナミックス / AIMD法 / 電子状態理論計算 / NOMO法 Less

Development of accelerated quantum dynamics theory
- Principal Investigator
  
  NAKAI Hiromi
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Waseda University

All 2010 2009 2008 2007

All Journal Article Presentation

[Journal Article] Theoretical study of hypervalent bonds in 1,6-diazadiydro-and 1,6-dioxadihydrohetero(6aX) pentalene (10-S-3) systems (X=14-16 groups)2010
- Author(s)
  T.Atsumi, T.Abe, K.-y. Akiba, H.Nakai
- Journal Title
  
  Bull.Chem.Soc.Jpn. (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Acceleration of self-consistent-field convergence in ab initio molecular dynamics and Monte Carlo simulations and geometry optimization2010
- Author(s)
  T. Atsumi, H. Nakai
- Journal Title
  
  Chem. Phys. Lett. 490(1-3)
  
  Pages: 102-108
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Theoretical study on bond-switching in 1,6-dihydro-6a-thia-1,6-diazapentalene(10-S-3)systems compared with corresponding oxygen analogues2010
- Author(s)
  T.Atsumi, T.Abe, K.-y. Akiba, H.Nakai
- Journal Title
  
  Bull.Chem.Soc.Jpn. (in press)
- NAID
  10027174361
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Acceleration of self-consistent-field convergence in ab initio molecular dynamics and Monte Carlo simulations and geometry optimization2010
- Author(s)
  T.Atsumi, H.Nakai
- Journal Title
  
  Chem.Phys.Lett. 490
  
  Pages: 102-108
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Molecular orbital propagation to accelerate self-consistentfield convergence in an ab initio molecular dynamics simulation2008
- Author(s)
  T. Atsumi and H. Nakai
- Journal Title
  
  J. Chem. Phys. 128(9)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Molecular orbital propagation to accelerate self-consistent-field convergence in an ab initio molecular dynamics simulation2008
- Author(s)
  T. Atsumi, H. Nakai
- Journal Title
  
  J. Chem. Phys. 128(9)
  
  Pages: 941011-9
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Molecular orbital propagation to accelerate self-consistent-field convergence in an ab initio molecular dynamics simulation2008
- Author(s)
  T. Atsumi, H. Nakai
- Journal Title
  
  J. Chem. Phys. 128
  
  Pages: 0941011-9
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Extension of energy density analysis to periodic-boundary-condition calculation: Evaluation of locality in extended system2007
- Author(s)
  H. Nakai, Y. Kurabayashi, M. Katouda, T. Atsumi
- Journal Title
  
  Chem. Phys. Lett. 438(1-3)
  
  Pages: 132-138
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Journal Article] Extension of energy density analysis to periodic boundary condition calculation: Evaluation of locality in extended systems2007
- Author(s)
  H. Nakai, Y. Kurabayashi, M. Katouda, T. Atsumi
- Journal Title
  
  Chem. Phys. Lett. 438
  
  Pages: 132-138
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 2次元紫外・可視分光法の提案:理論計算手法の開発2009
- Author(s)
  平塚暁裕, 赤間知子, 渥美照夫, 矢ヶ崎琢磨, 斉藤真司, 中井浩巳
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 理論計算による6配位超原子価炭素化合物の提案2009
- Author(s)
  大越昌樹, 渥美照夫, 菊池那明, 秋葉欣也, 中井浩巳
- Organizer
  日本化学会第3回関東支部大会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 6配位超原子価炭素化合物の理論設計2009
- Author(s)
  大越昌、渥美照夫、菊池那明、秋葉欣哉、中井浩巳
- Organizer
  日本化学会第89春季年会
- Place of Presentation
  船橋
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 2次元紫外・可視分光の理論計算手法の開発2009
- Author(s)
  平塚暁裕, 赤間知子, 渥美照夫, 斉藤真司,中井浩巳
- Organizer
  日本コンピュータ化学会2009春季年会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 2次元紫外・可視分光法に関する理論的研究2009
- Author(s)
  平塚暁裕, 赤間知子, 渥美照夫, 斉藤真司, 中井浩巳
- Organizer
  第12回理論化学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 6配位超原子価炭素化合物に関する理論的研究2009
- Author(s)
  大越昌樹, 渥美照夫, 菊池那明, 秋葉欣哉, 中井浩巳
- Organizer
  日本コンピュータ化学会2009春季年会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] ペロブスカイト型強誘電体BaTio3の電場応答特性に関する理論的研究2008
- Author(s)
  後潟敬介、渥美照夫、中井浩巳
- Organizer
  日本コンピュータ化学会2008春季年会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-18066016
[Presentation] 分子軌道時系列予測法による構造最適化計算の高速化2008
- Author(s)
  渥美照夫、中井浩巳
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-18066016

1. KIKUCHI Yasuaki (00434283)

# of Collaborated Projects: 2 results

# of Collaborated Products: 3 results
2. IMAMURA Yutaka (60454063)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
3. NAKAI Hiromi (00243056)

# of Collaborated Projects: 1 results

# of Collaborated Products: 17 results
4. KOBAYASHI Masato (40514469)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. SATO Takeshi (30507091)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 星野稔 (10409675)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 山内佑介 (40409678)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

ATSUMI Teruo 渥美 照夫

Research Projects

Research Products

Co-Researchers

Development of accelerated quantum dynamics theory

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Theoretical study of hypervalent bonds in 1,6-diazadiydro-and 1,6-dioxadihydrohetero(6aX) pentalene (10-S-3) systems (X=14-16 groups)2010

Author(s)

Journal Title

Data Source

[Journal Article] Acceleration of self-consistent-field convergence in ab initio molecular dynamics and Monte Carlo simulations and geometry optimization2010

Author(s)

Journal Title

Data Source

[Journal Article] Theoretical study on bond-switching in 1,6-dihydro-6a-thia-1,6-diazapentalene(10-S-3)systems compared with corresponding oxygen analogues2010

Author(s)

Journal Title

NAID

Data Source

[Journal Article] Acceleration of self-consistent-field convergence in ab initio molecular dynamics and Monte Carlo simulations and geometry optimization2010

Author(s)

Journal Title

Data Source

[Journal Article] Molecular orbital propagation to accelerate self-consistentfield convergence in an ab initio molecular dynamics simulation2008

Author(s)

Journal Title

Data Source

[Journal Article] Molecular orbital propagation to accelerate self-consistent-field convergence in an ab initio molecular dynamics simulation2008

Author(s)

Journal Title

Data Source

[Journal Article] Molecular orbital propagation to accelerate self-consistent-field convergence in an ab initio molecular dynamics simulation2008

Author(s)

Journal Title

Data Source

[Journal Article] Extension of energy density analysis to periodic-boundary-condition calculation: Evaluation of locality in extended system2007

Author(s)

Journal Title

Data Source

[Journal Article] Extension of energy density analysis to periodic boundary condition calculation: Evaluation of locality in extended systems2007

Author(s)

Journal Title

Data Source

[Presentation] 2次元紫外・可視分光法の提案:理論計算手法の開発2009

Author(s)

Organizer

Place of Presentation

Data Source

[Presentation] 理論計算による6配位超原子価炭素化合物の提案2009

Author(s)

Organizer

Place of Presentation

Data Source

[Presentation] 6配位超原子価炭素化合物の理論設計2009

Author(s)

Organizer

Place of Presentation

Data Source

[Presentation] 2次元紫外・可視分光の理論計算手法の開発2009

Author(s)

Organizer

Place of Presentation

Data Source

[Presentation] 2次元紫外・可視分光法に関する理論的研究2009

Author(s)

Organizer

Place of Presentation

Data Source

[Presentation] 6配位超原子価炭素化合物に関する理論的研究2009

Author(s)

Organizer

Place of Presentation

Data Source

[Presentation] ペロブスカイト型強誘電体BaTio3の電場応答特性に関する理論的研究2008

Author(s)

Organizer

ATSUMI Teruo 渥美照夫