Surface Corrugation in Rotational and Diffractive Scattering of O(2) from LiF (001)
文献类型:期刊论文
作者 | K. Xu ; X. R. Chen ; D. Q. Wei ; Q. Q. Gou |
刊名 | Communications in Theoretical Physics
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出版日期 | 2010 |
卷号 | 54期号:6页码:1112-1120 |
关键词 | molecule-surface scattering surface corrugation multi-configuration time-dependent Hartree method time-dependent hartree potential-energy surfaces propagating wavepackets product representation inelastic-scattering metal-surface wave-packet h-2 lif(001) simulations |
ISSN号 | 0253-6102 |
中文摘要 | A quantum dynamic calculation on a five-dimensional O(2)/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. |
原文出处 | |
公开日期 | 2012-04-13 |
源URL | [http://210.72.142.130/handle/321006/31609] ![]() |
专题 | 金属研究所_中国科学院金属研究所 |
推荐引用方式 GB/T 7714 | K. Xu,X. R. Chen,D. Q. Wei,et al. Surface Corrugation in Rotational and Diffractive Scattering of O(2) from LiF (001)[J]. Communications in Theoretical Physics,2010,54(6):1112-1120. |
APA | K. Xu,X. R. Chen,D. Q. Wei,&Q. Q. Gou.(2010).Surface Corrugation in Rotational and Diffractive Scattering of O(2) from LiF (001).Communications in Theoretical Physics,54(6),1112-1120. |
MLA | K. Xu,et al."Surface Corrugation in Rotational and Diffractive Scattering of O(2) from LiF (001)".Communications in Theoretical Physics 54.6(2010):1112-1120. |
入库方式: OAI收割
来源:金属研究所
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