Nudged elastic stiffness band method: A method to solve kinks problems of reaction paths.
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DOI: 10.1002/jcc.27169
Abstract: The nudged elastic band (NEB) method has been widely employed for reaction path (RP) finding; however, certain NEB calculations do not converge to the minimum energy paths (MEPs) because of the occurrence of kinks, which… read more here.
Keywords: elastic stiffness; stiffness band; nudged elastic; method ... See more keywords