S. Mazevet et al., Inclusion of nonadiabiatic effects in calculations on vibrational excitation of molecular hydrogen by low-energy electron impact, PHYS REV A, 59(1), 1999, pp. 477-489
The nonadiabatic phase matrix method offers a unified, systematic treatment
of vibrational dynamics in calculations of low-energy inelastic electron-m
olecule cross sections. This formalism uses fu;ed-nuclei R matrices to desc
ribe the region of configuration space near the target but-unlike its fully
adiabatic counterpart, the energy-modified adiabatic method-includes nonad
iabatic effects, which are important for resonant scattering and near a vib
rational threshold. A most stringent test of this method is e-H-2 scatterin
g below 10 eV, where elastic and inelastic cross sections exhibit an enhanc
ement around 3 eV which at the fixed-nuclei level involves a range of physi
cal effects, from nonresonant to resonant scattering, as the internuclear s
eparation varies from the smallest to largest relevant values. Here we desc
ribe an implementation of this method appropriate to such systems, an asses
sment of its accuracy for e-H-2 scattering, and an appraisal of the importa
nce of nonadiabatacity for the 0-->1 and 0-->2 vibrational excitations. [S1
050-2947(99)08901-5].