TITLE

A refined He–LiF(001) potential from selective adsorption resonances measured with high-resolution helium spin-echo spectroscopy

AUTHOR(S)
Riley, D. J.; Jardine, A. P.; Dworski, S.; Alexandrowicz, G.; Fouquet, P.; Ellis, J.; Allison, W.
PUB. DATE
March 2007
SOURCE
Journal of Chemical Physics;3/14/2007, Vol. 126 Issue 10, p104702
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The authors have developed a new experimental approach for measuring gas-surface selective adsorption resonances with much higher energy resolution and over a wider range of kinematic conditions than has previously been possible. The technique involves using a 3He spin-echo spectrometer as a Fourier transform helium atom scattering apparatus. The authors applied the technique to the He–LiF(001) system. They developed a new empirical potential for the He–LiF(001) system by analyzing and refining the best existing potentials in the light of the new data set. Following an initial free-particle model analysis, the authors used exact close coupling scattering calculations to compare the existing potentials with the new experimental data set. Systematic differences are observed between the two. The exisiting potentials are modified by simple transformations to give a refined potential that is consistent with and fully reproduces the experimental data. Their technique represents a new approach for developing very high precision empirical potentials in order to test first principles theory.
ACCESSION #
24406026

 

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