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The paradox discovered by @HansWurst comes by the assumption that it is possible to treat both minima on the 1D PES separately and define a separate set of normal coordinates for them. 3N normal coordinates are functions of 3N Cartesian coordinates of the bodies in our system. It turns out that for a double-well potential in 1D, which you describe here, the ...


5

I agree with Emil Zak's answer that normal mode coordinates from different minima should, in general, be put together with special care. However, relating the two different sets of normal mode origin from different minima (or transition states) is not of non sense, see SVP model of Hua Guo and Bin Jiang and related theories. To make things short, I will use ...


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