Analysis and refinement of the Cu(001) c(2 x 2)CO-He potential using (3)He selective adsorption resonances

J Chem Phys. 2008 Apr 21;128(15):154712. doi: 10.1063/1.2897921.

Abstract

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.