A quantum dynamic calculation on a five-dimensional O2/LiF （001） model system is performed using themulti-configuration time-dependent Hartree method.The obtained results show that the mechanism of rotational anddif...A quantum dynamic calculation on a five-dimensional O2/LiF （001） model system is performed using themulti-configuration time-dependent Hartree method.The obtained results show that the mechanism of rotational anddiffractive excitation in details: Comparison with the rotational excited state, the initially non-rotational state is seento favor the inelastic scattering in the rotational excitation process.The surface corrugation can damp the quantuminterferences and produce a greater amount of rotational inelastic scattering at the expense of the elastic process inthe rotational excitation process.The diffraction process and the average energy transferred into the rotational anddiffractive mode are also discussed.展开更多
基金Support by the National Natural Science Foundation of China under Grant No.10776022 the Specialized Research Fund for the Doctoral Program of Higher Education under Grant No.20090181110080
文摘A quantum dynamic calculation on a five-dimensional O2/LiF （001） model system is performed using themulti-configuration time-dependent Hartree method.The obtained results show that the mechanism of rotational anddiffractive excitation in details: Comparison with the rotational excited state, the initially non-rotational state is seento favor the inelastic scattering in the rotational excitation process.The surface corrugation can damp the quantuminterferences and produce a greater amount of rotational inelastic scattering at the expense of the elastic process inthe rotational excitation process.The diffraction process and the average energy transferred into the rotational anddiffractive mode are also discussed.
