Computing Mountain Passes

We propose the elastic string algorithm for computing mountain passes in finite-dimensional problems. We analyze the convergence properties and numerical performance of this algorithm for benchmark problems in chemistry and discretizations of infinite-dimensional variational problems. We show that any limit point of the elastic string algorithm is a path that crosses a critical point at which the Hessian matrix is not positive definite.


Argonne Preprint ANL/MCS-P957-0502, Argonne National Laboratory, 2002



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