Dynamics and chaos of molecules
Dynamics and chaos of molecules
批准号:
11166214
负责人:
TAKATSUKA Kazuo
金额:
$24.58万
依托单位:
依托单位国家:
日本
项目类别:
Grant-in-Aid for Scientific Research on Priority Areas (A)
财政年份:
1999
资助国家:
日本
项目状态:
已结题
起止时间:
1999 至 2001
中文摘要
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英文摘要
Recently, Takatsuka [1] has proposed a modified semiclassical correlation function that is free of the annoying amplitude factor. We refer this function to the amplitude-free correlation function (AFC), which is written in terms of the Action Decomposed Function [2], AFC is composed of only what we call turn-back orbits. Calculation of the turn-back orbits is by far easier than the periodic orbits. The role of the turn-back orbits in describing a standing wave is physically understandable. As an analogy, one may think of the motion of a string, one of the ends of which is spatially fixed on a wall and the other end is shaken. If the phases of ingoing and outcoming waves reflecting at t = 0 match with each other, they should form a stationary state. Here in this talk, we numerically verify that this theory gives really accurate spectrum in a unified manner both to integrable and nonintegrable systems by showing numerically how the AFC actually reproduces the correct eigenvalues of strongly chaotic systems [3]. This epoch-making method can be readily applied to large systems that could not be quantized otherwise.
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H. Fujisaki, and K. Takatsuka: "Highly Excited Vibronic Eigenfunctions in a Multimode Nonadiabatic System with Duschinsky Rotation"J. Chem. Phys.. 114. 3497-3507 (2001)
H. Fujisaki 和 K. Takatsuka:“具有 Duschinsky 旋转的多模非绝热系统中的高激发电子振动本征函数”J。
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H. Ushiyama, and K. Takatsuka: "Successive Mechanism of Double Proton Transfer in Formic Acid Dimer. A Classical Study"J. Chem. Phys.. 115.
H. Ushiyama 和 K. Takatsuka:“甲酸二聚体中双质子转移的连续机制。经典研究”J。
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高塚 和夫: "非平衡系の科学IV 分子の複雑性とカオス"講談社サイエンティフィク. 182 (2001)
高冢一夫:“非平衡系统的科学 IV:分子复杂性和混沌”讲谈社科学 182 (2001)。
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A.Inoue-Ushiyama, and K. Takatsuka: "Semiclassical Quantization of Strongly Chaotic Vibrations in M7-like cluster"Phys. Rev. E.. 64. 056223-056237 (2001)
A.Inoue-Ushiyama 和 K. Takatsuka:“M7 类星团中强混沌振动的半经典量子化”Phys。
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A.Inoue-Ushiyama, K.Takatsuka: "Semiclassical Quantization of Strongly Chaotic Vibrations in M7-like Cluster"Phys. Rev. E.. 64. 056223-15 (2001)
A.Inoue-Ushiyama、K.Takatsuka:“M7 类星团中强混沌振动的半经典量子化”Phys。
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共 19 条
Theory of ultrafast process in chemical dynamics
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批准号:18066004
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项目类别:Grant-in-Aid for Scientific Research on Priority Areas
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资助金额:$21.89万
-
财政年份:2006
-
负责人:TAKATSUKA Kazuo
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依托单位:
Theory of Chemistry beyond the Born-Oppenheimer Concept
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批准号:18105001
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项目类别:Grant-in-Aid for Scientific Research (S)
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资助金额:$71.05万
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财政年份:2006
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负责人:TAKATSUKA Kazuo
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依托单位:
Basic theories for molecular quantum dynamics
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批准号:15205003
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项目类别:Grant-in-Aid for Scientific Research (A)
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资助金额:$28.87万
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财政年份:2003
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负责人:TAKATSUKA Kazuo
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依托单位:
Theoretical study on ultrafast chemical processes in terms of pump-probe photoelectron spectroscopy
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批准号:11440170
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$9.02万
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财政年份:1999
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负责人:TAKATSUKA Kazuo
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依托单位:
Chaotic Molecular Motions to be Obseved in Single Molecule Spectroscopy.
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批准号:07454151
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$4.35万
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财政年份:1995
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负责人:TAKATSUKA Kazuo
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依托单位:
Theoretical Study on Properties and Dynamics of Molecules in Highly Exited Vibrational States.
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批准号:01540396
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项目类别:Grant-in-Aid for General Scientific Research (C)
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资助金额:$1.02万
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财政年份:1989
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负责人:TAKATSUKA Kazuo
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依托单位: