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• W2081567253 abstract "We present the Step and Slide method for finding saddle points between two potential-energy minima. The method is applicable when both initial and final states are known. The potential-energy surface is probed by two replicas of the system that converge to the saddle point by following isoenergetic surfaces. The value of the transition-state potential is bracketed in the process, such that a convergence criterion based on the potential can be used. We applied the method to study diffusion mechanisms of a small Ag cluster on a Ag(111) surface using an embedded-atom method potential. Our approach is comparable in efficiency to other commonly used methods." @default.
• W2081567253 created "2016-06-24" @default.
• W2081567253 creator A5025708275 @default.
• W2081567253 creator A5068546520 @default.
• W2081567253 date "2001-11-15" @default.
• W2081567253 modified "2023-10-16" @default.
• W2081567253 title "The Step and Slide method for finding saddle points on multidimensional potential surfaces" @default.
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• W2081567253 doi "https://doi.org/10.1063/1.1412285" @default.
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