SPECTRAL-ANALYSIS OF TIME-CORRELATION FUNCTION FOR A DISSIPATIVE DYNAMICAL SYSTEM USING FILTER DIAGONALIZATION - APPLICATION TO CALCULATIONOF UNIMOLECULAR DECAY-RATES

The filter-diagonalization method of Will and Neuhauser for harmonic i nversion of a complex time signal, C(t) = Sigma(k) d(k)e(-it omega k), is simplified by introducing a different boxlike filter and Is reform ulated to the case of a signal given on a sparse equidistant time grid . The method is applied to the large scale quantum dynamics problem of extracting hundreds of (narrow and overlapping) resonances of the H-3 (+) molecular ion directly from a single signal, c(n) = (Phi(0),T-n((H ) over cap)Phi(0)), generated by the dynamical system governed by a mo dified Chebyshev recursion.