Theoretical studies of H2–H2 collisions. II. Scattering and transport cross sections of hydrogen at low energies: Tests of a new a b i n i t i o vibrotor potential

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Abstract
Close‐coupled calculations of scattering amplitudes have been carried out for H2–H2 collisions for a new ab initio potential energy surface, treating the hydrogen molecules as true vibrotors. The amplitudes were inserted into the kinetic theory expressions for integral and transport cross sections and used to compute (1) the elastic scattering of (j=0, v=0) para‐hydrogen for relative velocities between 1000 and 2500 m/sec; (2) the viscosity differences of ortho‐ and para‐hydrogen for temperatures less than 25 °K; and (3) the thermal diffusion ratio of ortho‐ and para‐hydrogen for temperatures between 50 and 150 °K. The agreement with experiment is highly satisfactory and provides a thoroughgoing test of the new potential energy surface.