| Surface Corrugation in Rotational and Diffractive Scattering of O2 from LiF （001） |
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| 引用本文： | 徐凯,陈向荣,魏冬青,芶清泉.Surface Corrugation in Rotational and Diffractive Scattering of O2 from LiF （001）[J].理论物理通讯,2010(12):1112-1120. |
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| 作者姓名： | 徐凯 陈向荣 魏冬青 芶清泉 |
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| 作者单位： | [1]Institute of Atomic and Molecular Physics, College of Physical Science and Technology, Sichuan University, Chengdu 610064, China [2]International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, China [3]College of Life Science and Biotechnotogy, Shanghai Jiaotong University, Shanghai 200240, China |
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| 基金项目： | Support by the National Natural Science Foundation of China under Grant No. 10776022, by the Specialized Research Fund for the Doctoral Program of Higher Education under Grant No. 20090181110080 |
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| 摘 要： | A quantum dynamic calculation on a five-dimensional O2/LiF （001） model system is performed using the multi-configuration time-dependent Hartree method. The obtained results show that the mechanism of rotational and diffractive excitation in details： Comparison with the rotational excited state, the initially non-rotational state is seen to favor the inelastic scattering in the rotational excitation process. The surface corrugation can damp the quantum interferences and produce a greater amount of rotational inelastic scattering at the expense of the elastic process in the rotational excitation process. The diffraction process and the average energy transferred into the rotational and diffractive mode are also discussed.
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| 关 键 词： | 非弹性散射 旋转状态 衍射过程 表面波纹 氟化锂 氧气 激发过程 时间依赖 |
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