Application of the Lie algebraic approach to diffractionally and rotationally inelastic molecule–surface scattering

✍ Scribed by Daren Guan; Xizhang Yi; Shiliang Ding; Benhui Yang

• Publisher: John Wiley and Sons
• Year: 1997
• Tongue: English
• Weight: 180 KB
• Volume: 63
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1997)63:5<981::aid-qua7>3.0.co;2-s

✦ Synopsis

The Lie algebraic approach of Alhassid and Levine Phys. Rev. A 18, 89

Ž

.x 1978 is applied to the molecule᎐surface scattering. Specially, the diffractionally and rotationally inelastic scattering of a diatomic molecule from a solid surface is dealt with. Within the framework of the close-coupling method, we construct a Hamiltonian for the scattering system and use it to generate a dynamical algebra h . By solving equations of 6 motion for the group parameters, the scattering wave functions near the surface are obtained. Computed transition probabilities of diffractively and rotationally inelastic Ž . scattering of H from LiF 001 surface with the use of Lie algebraic method are seen to 2 agree well with the coupled-channel calculations. The Lie algebraic method thus appears to have a wide range of validity for describing the dynamics of gas᎐surface scattering.