Elastic Image Pair Method for Finding Transition States on Potential Energy Surfaces Using Only First Derivatives.
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DOI: 10.1021/acs.jctc.2c00137
Abstract: Herein, an elastic image pair (EIP) method is proposed to search transition states between two potential-energy minima using only first derivatives. In this method, two images are generated, and the spring forces are added to… read more here.
Keywords: transition states; elastic image; transition; image pair ... See more keywords