Riley D J, Jardine A P, Alexandrowicz G, Hedgeland H, Ellis J, Allison W
The Cavendish Laboratory, University of Cambridge, Cambridge, UK.
J Chem Phys. 2008 Apr 21;128(15):154712. doi: 10.1063/1.2897921.
Measurements of (3)He scattering from the Cu(001)c(2 x 2)CO surface using (3)He spin-echo spectroscopy show a number of selective adsorption resonance features. The features cannot be reproduced by close coupled scattering calculations based on the existing Cu(001)c(2 x 2)CO-He interaction potential. An empirical potential is created by adjusting the shape, depth, and width of the existing potential to improve agreement with the experimental data.
使用³He自旋回波光谱法对³He从Cu(001)c(2×2)CO表面的散射进行测量,结果显示出许多选择性吸附共振特征。基于现有的Cu(001)c(2×2)CO - He相互作用势,通过紧密耦合散射计算无法再现这些特征。通过调整现有势的形状、深度和宽度来创建一个经验势,以提高与实验数据的一致性。