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Efficiency improvement of GPST inversion algorithm

✍ Scribed by Y.M Chen; M.S Liu

Publisher: Elsevier Science
Year: 1987
Tongue: English
Weight: 669 KB
Volume: 72
Category: Article
ISSN: 0021-9991
DOI: 10.1016/0021-9991(87)90088-x

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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