Classical Dynamics in a Quantum Spirit: Revision of adiabatic trajectories treatment for H$_2$/Pd(111)
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This dataset contains the sticking and state-resolved scattering probability data presented in the manuscript "Classical Dynamics in a Quantum Spirit: Revision of adiabatic trajectories treatment for H$_2$/Pd(111)". The simulations investigate the scattering dynamics of H$_2$ on the Pd(111) surface, with a particular focus on improving the classical description of molecular motion through the combined use of Gaussian Binning (GB) and Adiabaticity Correction (AC). This dataset is relevant for researchers in surface science, gas–surface dynamics, and theoretical chemistry, particularly those interested in semiclassical methods.
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Zenodo创建时间:
2026-05-07



