INCLUSION OF THE GEOMETRIC PHASE IN QUANTUM REACTIVE SCATTERING CALCULATIONS - A VARIATIONAL FORMULATION

We present a method for including the geometric phase in quantum react ive scattering computations based on the log derivative version of the Kohn variational principle. A new variational functional is developed which includes the influence of the geometric phase through modificat ions in the momentum operators. The system investigated is a two-dimen sional reactive scattering model which includes the vector potential i nduced by the magnetic field of an infinitely long solenoid. The coord inates used in this model are analogous to Jacobi coordinates used in atom-diatom systems. Some interesting features of this study include t he gauge invariance of the scattering probabilities, symmetry adaptati on of the wave function, and the behavior of the probability density i n the presence of the geometric phase.