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 sca ttering calculations to study a direct effect on the symmetry of the nuclea r wave function due to conical intersections between BO potential energy su rfaces. In this article, we have addressed the same problem using the same model by introducing either a vector potential in the nuclear Hamiltonian o r by incorporating a phase factor in the nuclear wave function. The scatter ing calculations have been carried out by using a time-dependent wave packe t approach. (C) 1999 American Institute of Physics. [S0021-9606(99)00125-7] .