Development of a program for the calculation of attosecond time-resolved photoelectron spectra and its application to photo-induced electron transfer reactions
| Project/Area Number |
16350001
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | Tohoku University |
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Principal Investigator |
KONO Hirohiko Tohoku University, Graduate School of Science, Professor, 大学院理学研究科, 教授 (70178226)
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| Co-Investigator(Kenkyū-buntansha) |
FUJIMURA Yuichi Tohoku University, Graduate School of Science, Professor, 大学院理学研究科, 教授 (90004473)
OHTSUKI Yukiyoshi Tohoku University, Graduate School of Science, Lecturer, 大学院理学研究科, 講師 (40203848)
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| Project Period (FY) |
2004 – 2006
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| Project Status |
Completed (Fiscal Year 2006)
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| Budget Amount *help |
¥12,600,000 (Direct Cost: ¥12,600,000)
Fiscal Year 2006: ¥4,800,000 (Direct Cost: ¥4,800,000)
Fiscal Year 2005: ¥5,100,000 (Direct Cost: ¥5,100,000)
Fiscal Year 2004: ¥2,700,000 (Direct Cost: ¥2,700,000)
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| Keywords | Atomic and molecular physics / Photoelectron spectrum / S-matrix theory / Electronic wave packet / Photoelectron Angular Distribution / Enhanced ionization / Ring current / イオン化 / 強レーザー場 / 運動量角度分布 / 励起状態ダイナミクス / フェムト秒パルス / エタノール / 運動量分布カスプ / フラーレン |
|---|
| Research Abstract |
Time-resolved photoelectron spectroscopy is useful for probing the dynamics of a molecule that undergoes chemical reactions. To calculate the probability of intense-field-induced ionization or photoelectron spectrum of a time-evolving electronic state as a function of internuclear distances R, we combined wave packet propagation methods for bound electronic state dynamics, such as the time-dependent (TD) adiabatic state approach or the multiconfigurational TD Hartree-Fock method, with the intense-field many-body S-matrix theory. Our new approach was applied to H^+_2. The calculated ionization probability as a function of R is in good agreement with the exact one obtained by an accurate grid point method. Ionization of H: is greatly enhanced at a critical internuclear distance which is much longer than the equilibrium one (known as enhanced ionization). The angular distribution of the photoelectron momentum experimentally observed is reproduced as well. The distribution of the momentum perpendicular to the laser polarization direction has a sharp peak near zero momentum. The "cusp-like" distribution is due to excited state dynamics leading to ionization. We then calculated the photoelectron angular distribution of above-threshold ionization of H_2. We have also calculated the ionization probabilities of polyatomic molecules such as ethanol and water molecule to show that intramolecular electron dynamics is the key to understand the mechanism of enhanced ionization.
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Report
(4 results)
Research Products
(54 results)
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[Book] 光科学研究の最前線2005
Author(s)
河野裕彦(共著)
Total Pages
476
Publisher
強光子場科学研究懇談会
Description
「研究成果報告書概要(和文)」より
Related Report
