Dynamics of vibrationally inelastic collisions in H+−H2: comparing quantum calculations with experiments Original Research Article

Partially decoupled quantum mechanical calculations, termed VCC-RIOS in the main text, which occur in the H2 molecule colliding with protons are carried out for the vibrational excitation processes. A broad range of collision energies, up to 70 eV, is examined and results are compared with existing data for average energy transfer, integral cross sections and differential cross sections. A very detailed comparison with various experiments is carried out at E = 20 eV and satisfactory agreement with both experiments and earlier calculations is found for several dynamical observables. Through the present, extensive study of the higher energy behaviour of cross sections it is possible to further test the quality of one of the existing PES and to confirm the mode of behaviour for the charge-transfer channels that open up as the molecule becomes vibrationally ‘hot’ during collisions.