Coupled-channel calculations and the accuracy of the sudden approximation for atom-surface scattering

A. T. Yinnon; S. Bosanac; R. B. Gerber; J. N. Murrell

doi:10.1016/0009-2614(78)85054-4

Coupled-channel calculations and the accuracy of the sudden approximation for atom-surface scattering

A. T. Yinnon^*
, S. Bosanac
, R. B. Gerber
, J. N. Murrell

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

24 Scopus citations

Abstract

Exact coupled-channel calculations are presented for the scattering of Ne from W(110) and He from LiF(001), using symmetry to partly decouple the scattering equations. The results are used to test the recently proposed sudden approximation. For Ne/W(110), typical of all metals, the sudden approximation gives excellent quantitative accuracy. For the very unfavorable system He/LiF(001) good semiquantitative agreement is found with the exact results. It is concluded that the sudden approximately provides an efficient and accurate tool for atom-surface scattering calculations.

Original language	English
Pages (from-to)	364-367
Number of pages	4
Journal	Chemical Physics Letters
Volume	58
Issue number	3
DOIs	https://doi.org/10.1016/0009-2614(78)85054-4
State	Published - 1 Oct 1978

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abstract = "Exact coupled-channel calculations are presented for the scattering of Ne from W(110) and He from LiF(001), using symmetry to partly decouple the scattering equations. The results are used to test the recently proposed sudden approximation. For Ne/W(110), typical of all metals, the sudden approximation gives excellent quantitative accuracy. For the very unfavorable system He/LiF(001) good semiquantitative agreement is found with the exact results. It is concluded that the sudden approximately provides an efficient and accurate tool for atom-surface scattering calculations.",

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AU - Yinnon, A. T.

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AU - Murrell, J. N.

PY - 1978/10/1

Y1 - 1978/10/1

N2 - Exact coupled-channel calculations are presented for the scattering of Ne from W(110) and He from LiF(001), using symmetry to partly decouple the scattering equations. The results are used to test the recently proposed sudden approximation. For Ne/W(110), typical of all metals, the sudden approximation gives excellent quantitative accuracy. For the very unfavorable system He/LiF(001) good semiquantitative agreement is found with the exact results. It is concluded that the sudden approximately provides an efficient and accurate tool for atom-surface scattering calculations.

AB - Exact coupled-channel calculations are presented for the scattering of Ne from W(110) and He from LiF(001), using symmetry to partly decouple the scattering equations. The results are used to test the recently proposed sudden approximation. For Ne/W(110), typical of all metals, the sudden approximation gives excellent quantitative accuracy. For the very unfavorable system He/LiF(001) good semiquantitative agreement is found with the exact results. It is concluded that the sudden approximately provides an efficient and accurate tool for atom-surface scattering calculations.

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Coupled-channel calculations and the accuracy of the sudden approximation for atom-surface scattering

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