A principle which should prove useful in computations of couled potential energy surfaces was proposed. In particular, a theorem where U1 and U2 were adiabtic electronic energy levels, with U2 the higher level by convention was proved. This paper proves a theorem which says that when one encounters a local minimum of the gap between two potential energy surfaces, almost always it was the shoulder of a conical intersection.
|Original language||English (US)|
|Journal||Physical Review A - Atomic, Molecular, and Optical Physics|
|State||Published - Sep 1 2003|