Surface Corrugation in Rotational and Diffractive Scattering of O(2) from LiF (001)

IMR OpenIR

	Surface Corrugation in Rotational and Diffractive Scattering of O(2) from LiF (001)
	K. Xu; X. R. Chen; D. Q. Wei; Q. Q. Gou
	2010
发表期刊	Communications in Theoretical Physics
ISSN	0253-6102
卷号	54 期号:6 页码:1112-1120
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.
部门归属	[xu kai; chen xiang-rong; gou qing-quan] sichuan univ, coll phys sci & technol, inst atom & mol phys, chengdu 610064, peoples r china. [chen xiang-rong] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [wei dong-qing] shanghai jiao tong univ, coll life sci & biotechnol, shanghai 200240, peoples r china.;chen, xr (reprint author), sichuan univ, coll phys sci & technol, inst atom & mol phys, chengdu 610064, peoples r china;x.r.chen@tom.com
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
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31609
专题	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.