Scattering theory, resonances transition matrix

Values of At computed from the WT parameters of Table 2 are also included in Table 2, labeled TSRT (transition state resonance theory). They compare favorably with At values obtained (96) from accurate quantum dynamical scattering matrix elements without using transition state theory or resonance theory these latter values are given in the last column of Table 2. It is important to note that whereas the values are obtained from fits to reaction probabilities (which contain no information about the phases of the scattering matrix elements), the direct calculation (96,97) of At depends explicitly on phases. Thus there is no a priori reason why the At values must compare favorably. The fact that they do provides further evidence of the utility of treating transition states with resonance theory. 

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