Summation of the Morse pairwise potential in gas–surface interaction calculations
- 15 August 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 65 (4), 1561-1564
- https://doi.org/10.1063/1.433212
Abstract
The work of Cabrera and Goodman [J. Chem. Phys. 56, 4899 (1972)] is extended to the case of the Morse pairwise potential. A closed‐form result is obtained for the Fourier components of the gas–surface interaction potential which results from summation of the Morse potential over all lattice sites. Particular attention is paid to the (0,0) component, that is, the surface‐averaged potential, for which illustrations of the work are given for the system He–W and He–LiF.Keywords
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