Collective coordinates and an accompanying metric force in structural isomerization dynamics of molecules

A study was conducted on structural isomerization dynamics of three- and four-atom clusters using the PAHC to extract the effect of the intrinsic non-Euclidean metric inherent to the internal space. It was revealed that the PAHC were quite effective to extract a few parameters that essentially dominate the collective isomerization dynamics. Thus, in both three- and four-atom clusters, it turned out that the democratic rotation switches reaction path in the gyration space.