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Publication
The Journal of Chemical Physics
Paper
Revisiting the GR method for scattering from a corrugated hard wall: Improved stability, convergence, and new results
Abstract
The conditions for choosing the R and G vectors to obtain regular stable matrices for the GR method are reformulated. It is shown that the practical range of validity of the method can be extended to corrugation amplitudes beyond the Rayleigh limit and that it converges faster than was discussed in earlier papers. As an illustration of the capability of the method, we analyzed He diffraction from the large Ni(110)+H(2×6) unit cell. © 1984 American Institute of Physics.