Dual propagation inversion of truncated signals |
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| Authors: | David K Hoffman Hongzhen Zhang Zhuoer Shi Donald J Kouri Sungyul Lee Eli Pollak |
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| Institution: | (1) Department of Chemistry and Ames Laboratory, Iowa State University, Ames, IA 50011, USA, US;(2) Department of Physics and Department of Chemistry, University of Houston, Houston, TX 77204, USA, US;(3) Department of Chemistry, Kyunghee University, Kyungki-do 449–701, Korea, KR;(4) Chemical Physics Department, Weizman Institute of Science, Rehovot 76100, Israel, IL |
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| Abstract: | Fourier transforms occur in a variety of chemical systems and processes. A few examples include obtaining spectral information
from correlation functions, energy relaxation processes, spectral densities obtained from force autocorrelation functions,
etc. In this article, a new functional transform, named the dual propagation inversion (DPI) is introduced. The DPI functional
transform can be applied to a variety of problems in chemistry, such as Fourier transforms of time correlation functions,
energy relaxation processes, rate theory, etc. The present illustrative application is to generating the frequency representation
of a discrete, truncated time-domain signal. The DPI result is compared with the traditional Fourier transform applied to
the same truncated time signal. For both noise-free and noise-corrupted time-truncated signals, the DPI spectrum is found
to be more accurate, particularly as the signal is more severely truncated. In the DPI, the distributed-approximating-functional
free propagator is used to propagate and denoise the signal simultaneously.
Received: 30 January 2000 / Accepted: 6 July 2000 / Published online: 23 November 2000 |
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| Keywords: | : Dual propagation inversion Distributed approximating functional Fourier transform Time correlation function Denoise |
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