In this paper,the zero-temperature string method and the nudged elastic band method for computing the transition paths and transition rates between metastable states are investigated.The stability,accuracy as well as ...In this paper,the zero-temperature string method and the nudged elastic band method for computing the transition paths and transition rates between metastable states are investigated.The stability,accuracy as well as computational cost of the two methods are discussed.The results are verified by numerical experiments.展开更多
基金supported by the National Science Foundation of China under the grant 10425105the National Basic Research Program under the grant 2005CB321704.
文摘In this paper,the zero-temperature string method and the nudged elastic band method for computing the transition paths and transition rates between metastable states are investigated.The stability,accuracy as well as computational cost of the two methods are discussed.The results are verified by numerical experiments.
