25 September 1995 Quantum and classical dynamics of HCl+/MgO(001) photodissociation
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Abstract
The photodissociation dynamics of a molecular ion (HCl+) adsorbed on a single crystal insulator surface (MgO(001)) is investigated theoretically in a 2D dimensional model. Both quantum and classical methods have been used to study the dynamics. The structureless absorption spectra of the adsorbate are found to shift relative to their gas phase counterparts, due to the (de)stabilization of the excited states. The angular distributions of the desorbed hydrogen fragments are highly structured, in sharp contrast to the smooth, gaussian-like distributions obtained for the corresponding gas phase dissociation. A classical deflection function is introduced to illustrate the influence of rainbow scattering on the final hydrogen angular distributions.
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Hua Guo, Hua Guo, Tamar Seideman, Tamar Seideman, } "Quantum and classical dynamics of HCl+/MgO(001) photodissociation", Proc. SPIE 2547, Laser Techniques for Surface Science II, (25 September 1995); doi: 10.1117/12.221496; https://doi.org/10.1117/12.221496
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