Exact quantum mechanical three-dimensional reactive probabilities for the D + H 2 system: variational calculations based on negative imaginary absorbing potentials

Abstract

We report on the first exact three-dimensional state-to-state reactive transition probabilities as obtained employing a variation (time independent) treatment based on negative imaginary absorbing potentials. The calculations were carried out for the D + H 2( vj| J=0)→HD( v′ j′| J=0) + H process. The results were found to fit reasonably well with those obtained by other methods.