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Updated: Dec 13, 2025

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Modular path integral for finite-temperature dynamics of extended systems with intramolecular vibrations

Sohang Kundu1, Nancy Makri1

  • 1Department of Chemistry, University of Illinois, Urbana, Illinois 61801, USA.

The Journal of Chemical Physics
|August 6, 2020
PubMed
Summary

We present a numerically exact algorithm for calculating dynamical properties of extended systems. This method now includes harmonic bath modes and finite temperatures for accurate reduced density matrix calculations.

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