Errors in reaction-path following have been examined with the aid of a simple model surface and a local correction scheme has been proposed. Two new fourth-order explicit methods for reaction-path following have been developed, and two potential-energy surfaces with analytical reaction paths have been constructed. Some aspects of reaction-path bifurcation are also discussed.
H. B. Schlegel, J. Chem. Soc., Faraday Trans., 1994, 90, 1569 DOI: 10.1039/FT9949001569
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