遇见数据集

Classical Dynamics in a Quantum Spirit: Revision of adiabatic trajectories treatment for H$_2$/Pd(111)

收藏
Zenodo2026-05-07 更新2026-05-26 收录
官方服务:

资源简介:

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.

提供机构:
Zenodo
创建时间:
2026-05-07
二维码
社区交流群
二维码
科研交流群
商业服务