Fa. Gianturco et S. Kumar, SELECTIVE EFFICIENCY OF VIBRATIONAL EXCITATIONS IN ION-MOLECULE COLLISIONS - A COMPARISON OF BEHAVIOR FOR H-H-2 AND H--H-2(), The Journal of chemical physics, 103(8), 1995, pp. 2940-2948
The vibrational excitation processes which occur in molecular beam exp
eriments on H-2 molecules, and using H+ or H- as projectiles, are disc
ussed from the theoretical viewpoint of the microscopic quantum dynami
cs and in relation to the various features of the two potential energy
surfaces. The present study employs the vibrational close-coupling-ro
tational infinite-order sudden (VCC-RIOS) decoupling scheme and analyz
es in detail the differences of behavior of the various inelastic diff
erential cross sections in the small-angle region. It is clearly found
that two separate mechanisms can be invoked in the two systems to exp
lain the differences in efficiency between the two excitation processe
s. Such mechanisms can be related in turn to specific features of the
two potential energy surfaces and to their bearing on the final dynami
cal observables. Rather good agreement between calculated and observed
cross sections is found for both systems. (C) 1995 American Institute
of Physics.