Abstract
We report the results of quantum wavepacket calculations for the scattering of oriented beams of NO molecules from a Ag(111) surface. The potential energy surface is that of Voges and Schinke which was initially used to simulate the scattering of non-oriented beams. Our calculations reveal strong differences in rotational excitation probabilities as a function of molecular orientation. The oriented beams have mean rotational energies ≈ 30% higher and lower than the non-oriented beams, which is in qualitative agreement with recent experimental data. An explanation for this effect is found in the limited phase space presented to the oriented beams by the potential surface. These ideas are illustrated with the aid of classical scattering simulations.
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