ELECTRON-NUCLEAR DYNAMICS OF H++H2 COLLISIONS AT E(LAB)=30 EV

Citation
J. Morales et al., ELECTRON-NUCLEAR DYNAMICS OF H++H2 COLLISIONS AT E(LAB)=30 EV, The Journal of chemical physics, 103(23), 1995, pp. 9968-9980
Citations number
41
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
103
Issue
23
Year of publication
1995
Pages
9968 - 9980
Database
ISI
SICI code
0021-9606(1995)103:23<9968:EDOHCA>2.0.ZU;2-I
Abstract
Proton collisions with hydrogen molecules at 30 eV in the laboratory f rame is a simple ion-molecule system exhibiting a number of distinct p rocesses such as inelastic scattering, charge transfer, rearrangement, and dissociation. The electron nuclear dynamics (END) theory which al lows full electron nuclear coupling and which does not restrict the sy stem from reaching any of the possible product channels, is applied to this sytem to produce transition probabilities, differential, and int egral (vibrationally resolved) cross sections. Comparisons with experi ment demonstrate that END, even in its simplest implementation, with a single determinantal state for the electrons and with classical nucle i, yields results that are competitive with other theoretical approach es. (C) 1995 American Institute of Physics.