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Iteratively determined effective Hamiltonians for the adiabatically reduced coupled equations approach to intramolecular dynamics calculations
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4.We are concerned here with quantum mechanical approaches and hence will not consider the many useful semiclassical and classical approaches.
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13.The expansion of the wave function in Eq. (1) is assumed to be composed of a finite number of basis states. In theory, an infinite number of basis states are required to completely represent most Hamiltonians, but, in practice, the basis set is usually truncated.
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17.Note that in this article the resonant subspace is not necessarily degenerate and for this reason the Des Cloiseaux expansion is slightly modified here as discussed in Ref. 10(a). For the case of a degenerate subspace of energy the choice is used. Similar remarks apply to most of the expansions of Schucan and Weidenmüller and Lee and Suzuki, as given here. We have adopted the notation and partitioning scheme from Ref. 8.
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21.The “exact” frequency was determined from the splittings of the resonant state eigenstates (cf. Table I).
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