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 , 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.
- Received 15 March 2005
DOI:https://doi.org/10.1103/PhysRevB.71.161404
©2005 American Physical Society