标题:Lie algebraic method for vibrational and rotational transitions in inelastic collisions of a molecule with a solid surface
作者:Guan, D; Yi, YH; Ding, SL; Yang, BH
作者机构:[Guan, D; Yi, YH; Ding, SL; Yang, BH]SHANDONG UNIV,INST THEORET CHEM,JINAN 250100,SHANDONG,PEOPLES R CHINA.;[Guan, D; Yi, YH; Ding, SL; Ya 更多
来源:CHEMICAL PHYSICS
出版年:1997
卷:218
期:1-2
页码:1-11
DOI:10.1016/S0301-0104(97)00011-6
摘要:The vibrational and rotational transitions of a diatomic molecule in inelastic gas-surface scattering have been studied using the Lie algebraic approach of Alhassid and Levine [Phys. Rev. A 18 (1978) 89]. We have build a Hamiltonian describing the molecule-surface scattering and used it to construct a dynamical Lie algebra h(6). The expressions for the wavefunction of the system near the surface (z similar to 0) are explicitly obtained, All the internal rotational and vibrational modes of a diatomic molecule and their coupling have been taken into account in the theoretical model. This wavefunction is applied to compute analytically the transition probabilities from an initial rotation-vibrational state to another final one, for a model problem of H-2 scattering from the LiF(001) surface. The computed probabilities are in good agreement with those obtained using an accurate coupled-channel method.
收录类别:SCOPUS;SCIE
WOS核心被引频次:20
Scopus被引频次:20
资源类型:期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-0031570171&doi=10.1016%2fS0301-0104%2897%2900011-6&partnerID=40&md5=ed33c5349c57eddf0b5a5bd7fd0dcf22
TOP