Adiabatic channel potential curves for two linear dipole rotors. I. Classification of states and numerical calculations for identical rotors

Abstract

Adiabatic channel potential curves for a system of two linear dipole rotors are discussed. A general classification of states is given and a numerical procedure for calculating eigenvalues as a function of interrotor distance is formulated, both in a limited and extended basis set. A system of identical (but distinguishable) rotors is treated explicitly. Unexpectedly, the adiabatic potential curves show narrow avoided crossings which suggests the possibility of constructing diabatic channel potential curves. The validity of the adiabatic assumption for the relative motion of the dipoles is discussed.