The conical intersection effects and adiabatic single-surface approximations on scattering processes: A time-dependent wave packet approach

Using a quasi-Jahn-Teller model and an extended version of the approximate Born-Oppenheimer (BO) single surface equations, Baer, Charutz, Kosloff, and Baer [J. Chem. Phys. 105, 9141 (1996)] have performed time-independent scattering calculations to study a direct effect on the symmetry of the nuclear wave function due to conical intersections between BO potential energy surfaces. In this article, we have addressed the same problem using the same model by introducing either a vector potential in the nuclear Hamiltonian or by incorporating a phase factor in the nuclear wave function. The scattering calculations have been carried out by using a time-dependent wave packet approach. (C) 1999 American Institute of Physics. [S0021-9606(99)00125-7].