Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules - art. no. 032501

摘要

We prove that conical intersections are much more likely than local minima of the electronic energy gap. Therefore, if one encounters a very small electronic energy gap along a path through configuration space, it is much more likely to be associated with the neighborhood of a conical intersection than with an avoided intersection. [References: 7]