DYNAMICS OF VIBRATIONALLY INELASTIC-COLLISIONS IN H-H-2 - COMPARING QUANTUM CALCULATIONS WITH EXPERIMENTS()

Citation
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
Citations number
59
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
03010104
Volume
196
Issue
3
Year of publication
1995
Pages
485 - 498
Database
ISI
SICI code
0301-0104(1995)196:3<485:DOVIIH>2.0.ZU;2-S
Abstract
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.