A dividing surface free from a barrier recrossing motion in many-body systems

A dividing surface is newly proposed in a many-body phase space, over which the system trajectories do not recross if the saddle crossing motions are regarded as quasiperiodic. As an example, the recrossing dynamics of a four-degrees of freedom Hamiltonian, a model of proton transfer reaction of malonaldehyde, is investigated. It is shown that the apparent barrier recrossing motions observed over a naive dividing surface in the configurational space are ‘rotated away’, by a nonlinear canonical transformation, to no-reture single crossing motions over the new dividing surface defined in the phase space.