| The Gaussian weighted trajectory (GWT) approach is a variant of the standard quasi-classical trajectory (QCT) method (classical description of nuclear motions on a Born-Oppenheimer potential energy surface) used for several decades in order to describe and understand the dynamics of chemical reactions. The GWT approach is based on two modifications of the QCT method ; first, trajectories do not carry the same statistical weight, like in the QCT method. Instead, they carry a Gaussian weight such that the closer the final vibrational actions to integer values, the larger the weight. Second, non reactive trajectories which are vibrationally adiabatic are omitted in the calculation of final attributes. The goal of the talk is to justify this approach from semiclassical arguments and to compare its predictions with exact quantum scattering results or experimental ones in the case of several triatomic processes. |
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