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Updated: Aug 23, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
Inelastic collisions of molecular hydrogen: a comparison of results from quantum and classical mechanics
1Program in Chemistry, University of Northern British Columbia, Prince George, British Columbia, Canada V2N 4Z9.
Abstract:
Full-dimensional quantum and classical calculations have been carried out for inelastic (nonreactive) energy transfer in H2+H2 on the ab initio potential energy surface of Boothroyd et al. [J. Chem. Phys. 116, 666 (2002)]. State-to-state cross sections are determined and compared for transitions from H2(0,j(ab))+H2(1,j(cd)). While there is excellent agreement for transitions involving small Deltaj, for larger Deltaj and for vibrational relaxation, significant differences are observed which exhibit no systematic trends. Reasons for this disagreement are discussed.
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