Chemical Physics Department, Weizmann Institute of Science, Rehovot 76100, Israel.
J Chem Phys. 2011 Jan 14;134(2):024319. doi: 10.1063/1.3519811.
Exact time-dependent wavepacket calculations of helium atom scattering from model symmetric, chiral, and hexagonal surfaces are presented and compared with their classical counterparts. Analysis of the momentum distribution of the scattered wavepacket provides a convenient method to obtain the resulting energy and angle resolved scattering distributions. The classical distributions are characterized by standard rainbow scattering from corrugated surfaces. It is shown that the classical results are closely related to their quantum counterparts and capture the qualitative features appearing therein. Both the quantum and classical distributions are capable of distinguishing between the structures of the three surfaces.
本文给出了氦原子从模型对称、手性和六方表面散射的精确时间相关波包计算，并与它们的经典对应物进行了比较。对散射波包的动量分布进行分析，提供了一种方便的方法来获得所得的能量和角度分辨散射分布。经典分布的特征是从波纹表面的标准彩虹散射。结果表明，经典结果与它们的量子对应物密切相关，并捕捉到了其中出现的定性特征。量子和经典分布都能够区分三种表面的结构。
