6 votes

A good 2D function for plotting and visual demonstration of transition state, reaction coordinate etc

EDIT: Turns out it can be extremely simple to do. Here are the ingredients: Component Expression Curved minimum energy path (path follows $y = 0.4 (x^2 - 4x)$) $[y - 0.4(x^2-4x)]^2$ Ridge (runs ...
Shern Ren Tee's user avatar
6 votes

A good 2D function for plotting and visual demonstration of transition state, reaction coordinate etc

I would suggest using the egg holder function which is defined by the following formula $ f(x) = -(x_2+47)sin\left(\sqrt{\left| x_2+\frac{x_1}{2} + 47 \right|}\right) - x_1sin\left(\sqrt{\left| x_1-(...
Hemanth Haridas's user avatar

Only top scored, non community-wiki answers of a minimum length are eligible