The full quantum mechanical three body problem of H_2~+ (non-adiabatic R-matrix calculations for proton-hydrogen scattering)

摘要

A model describing the full quantum mechanical three body problem of the hydrogen molecular ion is presented, and some of the numerical results are subsequently discussed. The overall numerical scheme is based on a variation princile for the matrix representation of the scattering problem set up using grid-methods (e.g.finite element method) and associated quadrature-schemes (a discrete variable representation).