Abstract

Most of the rare events methods and reaction rate theories which are discussed in this book assume that nuclei evolve according to classical mechanics on a ground state potential energy surface. Accordingly, this chapter primarily describes the important features of ground state potential energy surfaces. However, it is also useful to understand when electronically excited states may be important. Obviously photochemistry (not covered in this book) involves excited electronic states, but electronic excitations can also be important for reactions that happen in the dark. Examples include reactions that involve spin crossings, reactions that occur at extremely high temperatures, and reactions that occur on the surface of a metal. The following section briefly describes the equations which define ground state potential energy surfaces and the conditions that determine whether excited electronic states can be ignored.

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