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Surface Corrugation in Rotational and Diffractive Scattering of O2 from LiF (001) |
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| Authors: | XU Kai CHEN Xiang-Rong WEI Dong-Qing GOU Qing-Quan |
| Institution: | 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 Biotechnology, Shanghai Jiaotong University, Shanghai 200240, China |
| Abstract: | 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. |
| Keywords: | molecule-surface scattering surface corrugation multi-configurationtime-dependent Hartree method |
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