Reactive scattering via real finite-range solutions: pointwise projections

A combination of recently developed techniques is applied to the collinear H2+H reaction. The techniques include combination of real regular finite range solutions of the Schrödinger equation to form the scattering solution and the evaluation of the S matrix by projection at a set of configuration points. Favorable features like the ‘energy-independent integral’ techniques for wave function generation, the use of a single coordinate system for the L2 basis, and the fact that no integral evaluation is required at individual energies facilitate efficient, accurate, and simple calculations of the S matrices for many energies in multiarrangement scattering.