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5. An Adaptive Step-size String Method and Its Convergence to the Minimum Energy Path

An Adaptive Step-size String Method and Its Convergence to the Minimum Energy Path

来源 :第八届工业与应用数学国际大会 | 被引量 : 0次 | 上传用户：lcg315

【摘 要】

：

　　Finding minimum energy path(MEP)on a potential energy surface is of great interest in understanding the barrier-crossing events.We develop an adaptive step-

【作 者】

：

ZhangLei; 

【机 构】

：

Peking Univ.

【出 处】

：

第八届工业与应用数学国际大会

【发表日期】

：

2015年期

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　　Finding minimum energy path(MEP)on a potential energy surface is of great interest in understanding the barrier-crossing events.We develop an adaptive step-size string(ASS)method by treating classical string method as a minimization process of the Friedlin-Wentzell functional.

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