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Optimality Conditions of Minimum Energy Crossing Point

preprint
submitted on 19.05.2019, 17:47 and posted on 20.05.2019, 20:31 by kun liu, yuxue li, jingbo zhang, yue lu, bin wang
We focus on the geometric nature of minimum energy crossing point (MECP) and give a reduced vibrational analysis (RVA) method for testing sufficiency of MECP candidate solution. Furthermore, an example is used to illustrate the risk if the test is ignored. In the support information, a detailed algorithm is given. The Gaussian and GaussView software are used in the example.

Funding

the National Natural Science Foundation of China (Grant Nos. 11601389)

History

Email Address of Submitting Author

bnulk@foxmail.com

Institution

Tianjin Normal University

Country

China

ORCID For Submitting Author

0000-0001-9275-4931

Declaration of Conflict of Interest

no conflict of interest

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