Hamiltonian systems diffusion coefficient

The delocalized state can be considered to be a transition state, and transition state theory [105], a well-known methodology for the calculation of the kinetics of events, [12,88,106-108] can be applied. In the present model description of diffusion in a zeolite, the transition state methodology for the calculation of the self-diffusion coefficient of molecules in zeolites with linear channels and different dimensionalities of the channel system is applied [88], The transition state, defined by the delocalized state of movement of molecules adsorbed in zeolites, is established during the solution of the equation of motion of molecules whose adsorption is described by a model Hamiltonian, which describes the zeolite as a three-dimensional array of N identical cells, each containing N0 identical sites [104], This result is very interesting, since adsorption and diffusion states in zeolites have been noticed [88],... 

As mentioned in the introduction, the director potential of the mesophase is assumed to have the same direction as the external static magnetic field. The Hamiltonian describing these spin systems is given by Eq. (3.5). To adapt the CFP already iqiplied to these systems in the free diffusion case to the present case, some small modifications have to be made. These minor changes concern the step where the c(n + 1), coefficients and the s moments... 

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