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Abstract The time-dependent wave packet method with a second order split operator is employed to study the state-to-state resolved reaction dynamics of the H + Li 2 system. The dynamics properties, such… Click to show full abstract
Abstract The time-dependent wave packet method with a second order split operator is employed to study the state-to-state resolved reaction dynamics of the H + Li 2 system. The dynamics properties, such as reaction probability, integral cross-section, differential cross-section and the rovibrational state distribution of the product are fully calculated in the present work. Both forward and backward scattering signals peaked at two extreme angles, indicating that the insert reaction mechanism plays an important role and that the statistic model is highly suitable to assess the reaction dynamics H + Li 2 .
Journal Title: Computational and Theoretical Chemistry
Year Published: 2017
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