Theoretical studies of H2–H2 collisions. IV. Ab initio calculations of anisotropic transport phenomena in para-hydrogen gasa)

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Abstract
The temperature dependence of the effective Waldmann–Snider cross sections determining the Senftleben–Beenakker effects of viscosity and heat conductivity has been studied for pH2 gas between 10 and 200 K. From ab initio nonspherical potentials of H2–H2, scattering matrices have been determined in close‐coupling calculations. From these, the elements of the scattering amplitude matrix have been obtained and used as input quantities for the evaluation of the various Waldmann–Snider collision integrals. The results of these first ab initio numerical calculations of anisotropic transport coefficients show excellent agreement of calculated and measured effective cross sections, especially for the most recent improved version of the interaction potential. In addition, it has been shown that the polarization production cross sections are quite sensitive to the potential anisotropy.