[rowland.208]

This paper is not exactly new, but it has gone relatively unnoticed. Calculating energy barriers can be difficult when the configuration space is large. The standard method for solving this problem is called “nudged elastic band method” or NEB. This paper presents a different approach that I found to me useful in my own calculations.

https://aip.scitation.org/doi/10.1063/1.2720838

• This topic was modified 5 years, 5 months ago by rowland.208.

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