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- W2058018306 abstract "We present a series of calculations for the scattering of an oriented NO beam from a silver surface. The potential energy surface chosen was empirically determined to reproduce the scattering of non-oriented beams and has been used in several previous theoretical studies. Surface motion is included in the calculation by coupling this potential to an Einstein oscillator representing a surface atom. Scattering simulations are presented using (i) the split operator method for fully quantum dynamics, (ii) the semiclassical Gaussian method and (iii) classical mechanics. Results obtained using the various methods are contrasted. The main effect occurring as a consequence of including surface motion is an overall downshifting of the features in the rotational distributions to lower energies. This occurs for oriented and non-oriented beams. The previously found anticorrelation between the energy transferred into molecular rotation and that put into the surface is found and discussed in the light of these new calculations." @default.
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- W2058018306 date "1990-11-01" @default.
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- W2058018306 title "A theoretical scattering study of oriented NO from a silver surface: effects of surface recoil" @default.
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- W2058018306 doi "https://doi.org/10.1016/0301-0104(90)85050-7" @default.
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