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The geometric minimum action method for computing minimum energy paths

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JOURNAL OF CHEMICAL PHYSICS
卷 128, 期 6, 页码 -

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AMER INST PHYSICS
DOI: 10.1063/1.2833040

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An algorithm is proposed to calculate the minimum energy path (MEP). The algorithm is based on a variational formulation in which the MEP is characterized as the curve minimizing a certain functional. The algorithm performs this minimization using a preconditioned steepest-descent scheme with a reparametrization step to enforce a constraint on the curve parametrization. (C) 2008 American Institute of Physics.

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