Spectral Analysis of Time Correlation Function for a Dissipative Dynamical System Using Filter Diagonalization: Application to Calculation of Unimolecular Decay Rates
Journal Article
·
· Physical Review Letters
- Department of Chemistry, University of Southern California, Los Angeles, California 90089 (United States)
The filter-diagonalization method of Wall and Neuhauser for harmonic inversion of a complex time signal, C(t)=kd{sub k}e{sup -it{omega}{sub k}}, is simplified by introducing a different boxlike filter and is reformulated 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{sup +}{sub 3} molecular ion directly from a single signal, c{sub n}={bold (}{Phi}{sub 0},T{sub n}({cflx H}){Phi}{sub 0}{bold )}, generated by the dynamical system governed by a modified Chebyshev recursion. {copyright} {ital 1997} {ital The American Physical Society}
- DOE Contract Number:
- FG03-94ER14458
- OSTI ID:
- 496786
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 17 Vol. 78; ISSN 0031-9007; ISSN PRLTAO
- Country of Publication:
- United States
- Language:
- English
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