화학공학소재연구정보센터
Journal of Chemical Physics, Vol.110, No.7, 3263-3266, 1999
Concept of interbasin mixing and extension of the Lyapunov exponent in multiple potential-basin dynamics as in structural isomerization of clusters
For Hamilton dynamics on a potential that has multiple local basins as in structural isomerization reaction of clusters, a notion of interbasin mixing is introduced that is responsible for Markov-type stochastic appearance of molecular structures. An extension of the Lyapunov exponent to quantify the time scale to reach interbasin mixing is proposed. The present dynamics also serves as a prototype of multichannel chemical reactions.