Spectroscopic analysis in molecular simulations with discretized Wiener-Khinchin theorem for Fourier-Laplace transformation

Spectroscopic analysis in molecular simulations with discretized Wiener-Khinchin theorem for Fourier-Laplace transformation

© 2020 American Physical Society. The Wiener-Khinchin theorem for the Fourier-Laplace transformation (WKT-FLT) provides a robust method to obtain the single-side Fourier transforms of arbitrary time-domain relaxation functions (or autocorrelation functions). Moreover, by combining an on-The-fly alg...

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Bibliographic Details
Main Authors: Koyama, Akira, Nicholson, David A, Andreev, Marat, Rutledge, Gregory C, Fukao, Koji, Yamamoto, Takashi
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering
Format: Article
Language:English
Published: American Physical Society (APS) 2021
Online Access:https://hdl.handle.net/1721.1/134338

Internet

https://hdl.handle.net/1721.1/134338

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