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Quantum dynamics of dissociative adsorption of H_2 on Ni (100) using the dynamical Lie algebraic method
Authors:GUAN Daren YI Xizhang DING ShiliangZHENG Yujun and LIU Jianyong
Abstract:A dynamical Lie algebraic method has been applied to treating the quantum dynamics of dissociative adsorption of H2 on a static flat metal surface. An LEPS potential energy surface has been used to describe the interaction of H2 with Ni(100) surface. The dependence of the initial state-selected dissociation probability was obtained analytically on the initial kinetic energy and time. A comparison with other theoretical calculations and experiments is made. The results show that the method can be effectively used to describe the dynamics of reactive gas-surface scattering.
Keywords:dynamical Lie algebraic method   dynamics of reactive gas-surface scattering   dissociative adsorption.
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