Studies on Molecular Dynamics and Chemical Reactivity

分子动力学和化学反应性研究

• 批准号: 02044155
• 负责人: NAKAMURA Hiroki
• 金额: $ 3.52万
• 依托单位: Okazaki National Research Institutes, Institute for Molecular Science
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for international Scientific Research
• 财政年份: 1990
• 资助国家: 日本
• 起止时间: 1990 至 1992
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-02044155/
• 关键词: Chemical Reaction Dynamics; Irreversible Relaxation Process; Projection Operator Method; Potential Energy Surface; Photodissociation of Molecule; Generalized Variational Principle; Time-dependent Schrodinger equation; Relaxation of Excited Molecule

1. Collaborative research(1) Derivation of a generalized Langevin equation for wave function. The following paper was submitted to J. Chem. Phys. "A generalized Langevin equation for wave function : A stochastic process of probability amplitudes" by K. Someda and R. D. Levine(2) Application of the generalized variational principle to chemical reaction. The following paper was published : "Variational Principles for reactive collisions based on the generalized Lagrange multiplier method. " M. Baer and H. Nakamura J. Chem. Phys. 96 6565 (1992).(3) Solution of time-dependent Schrodinger equation.(4) Molecular photodissociation..(5) Experimental studies on vibrational modes and relaxation of excited molecules.2. Joint Symposia - Once in Jerusalem and once in Okazaki.3. Discussions about future plan of the Japan-Israel Collaboration in molecular science

1.合作研究(1)波函数的广义朗之万方程的推导。以下论文已提交给J.Chem。太棒了。K.Someda和R.D.Levine的《波函数的广义朗之万方程：概率幅度的随机过程》(2)广义变分原理在化学反应中的应用。发表的论文如下：《基于广义拉格朗日乘子法的反应碰撞的变分原理》。M.Baer和H.Nakamura J.Chem.太棒了。96 6565(1992)。(3)含时薛定谔方程的解。(4)分子光解。(5)激发态分子振动模式和弛豫的实验研究。联合研讨会--一次在耶路撒冷，一次在冈崎。关于日以分子科学合作未来规划的讨论

项目成果

M. Baer and Hiroki NAKAMURA: "Variational principles for reactive collisions based on the generalized Lagrange multiplier Method" J. Chem. Phys.96. 6565-6575 (1992)

M. Baer 和 Hiroki NAKAMURA：“基于广义拉格朗日乘子法的反应碰撞的变分原理”J. Chem。

M. Bear and H. Nakamura: "Variational principles for reactive collisions based on the generalized Lagrange multiplier method" J. Chem. Phys.96. 6565 6575 (1992)

M. Bear 和 H. Nakamura：“基于广义拉格朗日乘子法的反应碰撞的变分原理”J. Chem。

M.Bear and H.Nakamura: "Variational principles for reactive collisions based on the generalized Lagrange multiplier method" J.Chem.Phys.

M.Bear 和 H.Nakamura：“基于广义拉格朗日乘子法的反应碰撞的变分原理”J.Chem.Phys。

K. SOMEDA and R. D. Levine: "A generalized Langevin equation for wave functions: A stochastic process of probability amplitudes" J. Chem. Phys.

K. SOMEDA 和 R. D. Levine：“波函数的广义朗之万方程：概率幅度的随机过程”J. Chem。

K. Someda and R. D. Levine: "A generalized Langevin equation for wave functions : A stochastic process of probability amplitudes" J. Chem Phys. (Submitted).

K. Someda 和 R. D. Levine：“波函数的广义朗之万方程：概率幅度的随机过程”J. Chem Phys。