4.6 Article

Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules

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PHYSICAL REVIEW A
卷 68, 期 3, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.68.032501

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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.

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