Modeling cusps in adiabatic potential energy surfaces.

A method for modeling cusps on adiabatic potential energy surfaces without the need for any adiabatic-to-diabatic transformation is presented and shown to be successfully applied to the (2)A″ state of NO2. The more complicated case of a system with permutationally equivalent crossing seams is also examined and illustrated by considering the two first (2)A' states of the nitrogen trimer.