| S3解离中的非绝热过程 |
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| 引用本文： | 闫 冰,潘守甫,王志刚,于俊华.S3解离中的非绝热过程[J].物理学报,2006,55(4):1736-1739. |
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| 作者姓名： | 闫 冰 潘守甫 王志刚 于俊华 |
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| 作者单位： | (1)哈尔滨工业大学可调谐激光技术国家重点实验室,哈尔滨 150001; (2)吉林大学原子与分子物理研究所,长春 130012 |
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| 基金项目： | 国家自然科学基金(批准号：60278009)资助的课题. |
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| 摘 要： | 采用量子力学从头计算方法研究了硫的三聚物S３低激发态解离过程.构造了S３分子的解离极限.对态态间跃迁极矩的计算表明，在势能曲面的交叉区域态态间存在相互转换的非绝热过程，从而确定了在S３解离为S2的复杂过程中，非绝热预解离是重要的解离通道.
关键词：
３')" href="#">S３
从头算
预解离
非绝热
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| 关 键 词： | S３ 从头算 预解离 非绝热 |
| 收稿时间： | 05 10 2005 12:00AM |
| 修稿时间： | 2005-05-102005-11-09 |
Dissociation of sulfur trimer S3:the nonadiabatic process |
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| Yan Bing,Pan Shou-Fu,Wang Zhi-Gang and Yu Jun-Hua.Dissociation of sulfur trimer S3:the nonadiabatic process[J].Acta Physica Sinica,2006,55(4):1736-1739. |
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| Authors: | Yan Bing Pan Shou-Fu Wang Zhi-Gang and Yu Jun-Hua |
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| Institution: | 1. Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China; 2. State Key Laboratory of Tunable Laser Technology, Harbin Institute of Technology, Harbin 150001, China |
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| Abstract: | The dissociation process of the sulfur trimer S_3 in the low-lying excited states is investigated using ab initio method in this work. The dissociation limits of S_3 are constructed. The calculation of transition moment between certain states indicates that the nonadiabatic process of conversion between different excited states occurs in the crossing regions of potential surfaces. Thus, we conclude that the nonadiabatic predissociation is important in the dissociation paths of S_3 into S_2+S. |
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| Keywords: | S3 ab initio calculation predissociation nonadiabatic |
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