Development of electronic dynamics methods and their application to time-resolved molecular imaging
Project/Area Number |
21350005
|
Research Category |
Grant-in-Aid for Scientific Research (B)
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Allocation Type | Single-year Grants |
Section | 一般 |
Research Field |
Physical chemistry
|
Research Institution | Tohoku University |
Principal Investigator |
KONO Hirohiko 東北大学, 大学院・理学研究科, 教授 (70178226)
|
Co-Investigator(Renkei-kenkyūsha) |
KOSEKI Shiro 大阪府立大学, 大学院・理学系研究科, 教授 (80252328)
KATO Tsuyoshi 東京大学, 大学院・理学系研究科, 准教授 (10321986)
|
Project Period (FY) |
2009 – 2011
|
Project Status |
Completed (Fiscal Year 2011)
|
Budget Amount *help |
¥17,290,000 (Direct Cost: ¥13,300,000、Indirect Cost: ¥3,990,000)
Fiscal Year 2011: ¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2010: ¥6,890,000 (Direct Cost: ¥5,300,000、Indirect Cost: ¥1,590,000)
Fiscal Year 2009: ¥5,590,000 (Direct Cost: ¥4,300,000、Indirect Cost: ¥1,290,000)
|
Keywords | 電子波束 / 多配置時間依存ハートリー-フォック法 / 強レーザー場イオン化 / 時間依存化学ポテンシャル / C_<60> フラーレン / 時間依存自然軌道 / 化学ポテンシャル / 多配置時間依存発展法 / 多電子ダイナミクス / 近赤外光イオン化 / 分子イメージング / フラーレン / 選択的振動モード励起 / 光イオン化 / 反応制御 / 電子相関 / Stone-Wales転位 / 自然軌道 / 差分法 / Stone-Wales 転位 |
Research Abstract |
We developed a time-dependent multiconfiguration theory to investigate the electronic dynamics of molecules in intense laser fields. The detailed mechanism of ionization was revealed in terms of the chemical potentials of time-dependent natural orbitals. We also investigated the mode selective excitation of C_<60> by near-infrared pulses and the subsequent dynamics of rearrangement and fragmentation.
|
Report
(4 results)
Research Products
(103 results)
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[Journal Article] Nanosecond Simulations of the Dynamics of C60 Excited by Intense Near-IR Laser Pulses : Impulsive Raman excitation, Rearrangement, and Fragmentation2012
Author(s)
N. Niitsu, M. Kikuchi, H. Ikeda, K. Yamazaki, M. Kanno, H. Kono, K. Mitsuke, M. Toda, K. Nakai
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Journal Title
J. Chem. Phys
Volume: 136
Related Report
Peer Reviewed
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[Journal Article] Nanosecond Simulations of the Dynamics of C_<60> Excited by Intense Near-IR Laser Pulses : Impulsive Raman excitation, Rearrangement, and Fragmentation2012
Author(s)
N.Niitsu, M.Kikuchi, H.Ikeda, K.Yamazaki, M.Kanno, H.Kono, K.Mitsuke, M.Toda, K.Nakai
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Journal Title
J.Chem.Phys.
Volume: 136(In press)
Related Report
Peer Reviewed
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[Journal Article] Attosecond control of dissociative ionization of O2 molecules2011
Author(s)
W. Siu, F. Kelkensberg, G. Gademann, A. Rouzee, P. Johnsson, D. Dowek, M. Lucchini, F. Calegari, U. De Giovannini, A. Rubio, R. R. Lucchese, H. Kono, F. Lepine, and M. J. J. Vrakking
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Journal Title
Related Report
Peer Reviewed
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[Journal Article] Attosecond control of dissociative ionization of O_2 molecules2011
Author(s)
W.Siu, F.Kelkensberg, G.Gademann, A.Rouzee, P.Johnsson, D.Dowek, M.Lucchini, F.Calegari, U.De Giovannini, A.Rubio, R.R.Lucchese, H.Kono, F.Lepine, M.J.J.Vrakking
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Journal Title
Physical Review A
Volume: 84
Issue: 6
DOI
Related Report
Peer Reviewed
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