Scattered wave variational principle for atom—diatom reactive scattering: hybrid basis set calculations

Abstract The scattered wave variational principle (SWVP) with a hybrid basis is applied to the hydrogen exchange reaction. The convergence, stability and accuracy of results are comparable to those obtained with the generalized Newton variational principle — L 2 amplitude density method. They demonstrate that the SWVP with the hybrid basis is a powerful tool for the description of gas-phase reactive scattering.