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Estimation of the efficiency of an absolute-minimum-finding algorithm

✍ Scribed by Yu.M. Danilin


Publisher
Elsevier Science
Year
1971
Weight
389 KB
Volume
11
Category
Article
ISSN
0041-5553

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## Abstract The nudged elastic band (NEB) method is a successful optimization method for obtaining minimum energy reaction paths if only the initial and final structures are known. However, the original implementation of the method had some limitations, which has meant that there has been considera