Fa. Gianturco et S. Kumar, DYNAMICS OF VIBRATIONALLY INELASTIC-COLLISIONS IN H-H-2 - COMPARING QUANTUM CALCULATIONS WITH EXPERIMENTS(), Chemical physics, 196(3), 1995, pp. 485-498
Partially decoupled quantum mechanical calculations, termed VCC-RIOS i
n the main text, which occur in the H-2 molecule colliding with proton
s are carried out for the vibrational excitation processes. A broad ra
nge of collision energies, up to 70 eV, is examined and results are co
mpared with existing data for average energy transfer, integral cross
sections and differential cross sections. A very detailed comparison w
ith various experiments is carried out at E = 20 eV and satisfactory a
greement with both experiments and earlier calculations is found for s
everal dynamical observables. Through the present, extensive study of
the higher energy behaviour of cross sections it is possible to furthe
r 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 mole
cule becomes vibrationally 'hot' during collisions.