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Classical dynamics in a quantum spirit: Refining semi-classical corrections for the scattering of H2 on W(100)

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Analysis combines classical dynamics with quantum insights, highlighting semi-classical corrections for H2 on W(100).

Applying refined semi-classical corrections, results align closely with quantum wave packet dynamics.
Refined adiabaticity correction shows improved accuracy in classical predictions for H2 on W(100).
Multidimensional potential energy surface was derived via density functional theory for enhanced modeling.
Study assesses varying rotational states of H2, providing deep insights into scattering phenomena.

Viaud et al. (2025) studied this question.

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