Development and Applications of the Semiclassical Theories for Nonadiabatic Transitions and Tunneling Phenomena

非绝热转变和隧道现象半经典理论的发展与应用

• 批准号: 09044109
• 负责人: NAKAMURA Hiroki
• 金额: $ 2.62万
• 依托单位: Okazaki National Research Institutes
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for international Scientific Research
• 财政年份: 1997
• 资助国家: 日本
• 起止时间: 1997 至 1998
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-09044109/
• 关键词: nonadiabatic; chemical reaction dynamics; tunneling; resonsnce; 半古典力学; 指数関数モデル; 共鳴

1)Concerning the exponential potential model which is expected to be a good candidate of a unified theory to cover both Landau-Zener-Stueckelberg type and Rosen-Zener-Demkov type nonadiabatic transitions, we have accomplished analytical works to a very good extent (published papers 1, 2, and 5).2)With use of the Zhu-Nakamura theory, very sharp Feshbach type resonances in the col1inear 0 + HO* OH + 0 reaction have been nicely reproduced and analyzed (published paper 3).3)Quantum dynamics of the hydrogen transfer reaction Cl + HBr * HCI + Br have been calculated with use of the hyperspherical coordinate approach, and the reaction mechanisms were clarified in terms of the potential ridge and vibrationally nonadiabatic transitions (published paper 4).

1)对于有望成为Landau-Zener-Stueckelberg型和Rosen-Zener-Demkov型非绝热跃迁统一理论的指数势模型，我们已经很好地完成了分析工作(已发表的文献1、2和5)。2)利用朱-Nakamura理论，很好地再现和分析了共线0+Ho*OH+0反应中非常尖锐的Feshbach型共振(发表论文3)。3)用超球坐标方法计算了氢转移反应Cl+HBr*HCi+Br的量子动力学。并根据势脊和振动非绝热跃迁阐明了反应机理(发表论文4)。

项目成果

V.I.Osherov and H.Nakaura: "Analytic solution of two-state time-independent coupled Schrodinger equations in an exponential model" Phys.Rev.A59. 2486-2489 (1999)

V.I.Osherov 和 H.Nakaura：“指数模型中二态时间无关耦合薛定谔方程的解析解”Phys.Rev.A59。

V.I.Osherov and H.Nakamura: "Analytic Solution of Two-State Time-Independent Coupled Schrodinger Equations in an Exponential Model" Phys.Rev.A.(In press). (1998)

V.I.Osherov 和 H.Nakamura：“指数模型中两态时间无关耦合薛定谔方程的解析解”Phys.Rev.A.（正在出版）。

G.V.Mil'nikov, O.I.Tolstkhin, K.Nobusada, and H.Nakamura: "Quamtum Reaction Dynamics of Asymmetric Exoergic Heavy-Light-Heavy systems: Cl+HBr → HCl+Br" Phys.Chem.Chem.Phys.In press. (1998)

G.V.Milnikov、O.I.Tolstkhin、K.Nobusada 和 H.Nakamura：“不对称放能重-轻-重系统的量子反应动力学：Cl+HBr → HCl+Br”Phys.Chem.Chem.Phys.In 出版社。 (1998)

V.I.Osherov, V.G.Ushakov, and H.Nakamura: "Semiclassical Theory of Nonadiabatic Transitions in a Two-State Experonential Model" Phys.Rev.A.57. 2672-2682 (1998)

V.I.Osherov、V.G.Ushakov 和 H.Nakamura：“二态经验模型中非绝热转变的半经典理论”Phys.Rev.A.57。

G.V.Mil'nikov, C.Zhu, H.Nakamura and V.I.Osherov: "SemiclassicalTreatment of Resonances in the Colliniar O+HO Exchange Reaction" Chem.Phys.Lett.293. 448-454 (1998)

G.V.Milnikov、C.Zhu、H.Nakamura 和 V.I.Osherov：“Colliniar O HO 交换反应中共振的半经典处理”Chem.Phys.Lett.293。