A STUDY OF CONICAL INTERSECTION EFFECTS ON SCATTERING PROCESSES - THEVALIDITY OF ADIABATIC SINGLE-SURFACE APPROXIMATIONS WITHIN A QUASI-JAHN-TELLER MODEL
R. Baer et al., A STUDY OF CONICAL INTERSECTION EFFECTS ON SCATTERING PROCESSES - THEVALIDITY OF ADIABATIC SINGLE-SURFACE APPROXIMATIONS WITHIN A QUASI-JAHN-TELLER MODEL, The Journal of chemical physics, 105(20), 1996, pp. 9141-9152
Conical intersections between Born-Oppenheimer potential energy surfac
es create singularities which are known to have a direct effect on the
symmetry of the nuclear wave functions. In this article is presented
a quasi-Jahn-Teller model to study the symmetry effects of these singu
larities on nonreactive and reactive scattering processes. Applying th
is model, we were able to determine in what way and to what extent the
conical intersection affects the relevant S-matrix elements. Having t
he results of this study available, conclusions concerning more realis
tic systems were derived. (C) 1996 American Institute of Physics.