Conical intersection: Difference between revisions

Revision as of 20:11, 15 August 2006

Revision as of 18:56, 22 August 2006

Line 1:

In [[quantum chemistry]], a '''conical intersection''' of two [[potential energy surface]]s of the same spatial and spin symmetries is the set of [[molecular geometry]] points where the two [[potential energy surface]]s are degenerate (intersect). Conical intersections are ubiquitous in chemical systems.

In a two coordinate system, this can occur at one [[molecular geometry]]. If the potential energy surfaces are plotted as functions of the two coordinates, they form a [[cone (solidgeometry)|cone]] centered at the degeneracy point. The name conical intersection comes from this observation.

In a three coordinate system (a [[diatomic|triatomic]] molecule), the locus of the degenerate points is a line which is called a [[seam]].