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Convergent perturbative solution to the attractive corrugated hard wall model of atom--surface scattering

Journal Article · · J. Chem. Phys.; (United States)
DOI:https://doi.org/10.1063/1.443591· OSTI ID:5288438

The attractive corrugated wall model of atom--surface scattering is solved by an expansion method. The approach is similar to a Born expansion; however, projection operators must be introduced in order to obtain a convergent series near resonances. Diffraction intensities are calculated for He--LiF(001) and He--NaF(001) scattering. Good agreement with experimental intensities is obtained when the series is taken to convergence. In some cases (He--NaF) this requires calculation to as high as 12th order in the expansion parameter. At this order as many as 169 channels are included in the calculation. Preliminary estimates for the values for v/sub 01/ and v/sub 11/ for the He--NaF system have been found by comparison of theoretical and experimental intensities.

Research Organization:
Department of Chemistry, Revelle College, University of California, San Diego, La Jolla, California 92093
OSTI ID:
5288438
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 77:1; ISSN JCPSA
Country of Publication:
United States
Language:
English