Abstract
We report results of a one-stop automated search method for the deepest minimum in surface structure determination. Starting from known chemical bond lengths, the deepest minimization frozen low-energy electron diffraction (LEED) method locates the deepest minimum in a single run without any human intervention. This is achieved by using an approximation method, the frozen LEED, which has a radius of convergence of over $0.8\phantom{\rule{0.3em}{0ex}}\mathrm{\AA{}}$, together with a simulated annealing algorithm that hops out of local minima until a deepest minimum is found. Demonstrations are presented using simulated and experimental results.
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