Reaction probabilities Hamiltonian equation

We now discuss the necessary details of the computational aspects to obtain the reaction probability by the scheme developed above. In the following we proceed with the coupled-surface calculations the uncoupled-surface calculations follow from them in an elementary way. The time-dependent Schrodinger equation (TDSE) is solved numerically in the diabatic electronic representation on a grid in the (i , r, 7) space using the matrix Hamiltonian in Eq. (11). For an explicitly time-independent Hamiltonian the solution reads... 

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