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On potential energy surfaces and relaxation to the global minimum
1996
Journal of Chemical Physics
By analyzing the dynamics of model potential energy surfaces we systematically investigate the processes involved in passing from a high energy state to the global minimum and how the probability of reaching the global minimum depends upon the topography and topology of the potential energy surface ͑PES͒. Relaxation to the global minimum is easiest for PES's consisting of a single funnel ͑a set of convergent pathways which lead to the global minimum͒ with low barriers and a significant
doi:10.1063/1.472697
fatcat:2hcjb2s66vetxewikdmtczjtka