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Updated: Feb 19, 2026

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Application of the mixed time-averaging semiclassical initial value representation method to complex molecular

Max Buchholz1, Frank Grossmann1, Michele Ceotto2

  • 1Institut für Theoretische Physik, Technische Universität Dresden, 01062 Dresden, Germany.

The Journal of Chemical Physics
|November 4, 2017
PubMed
Summary

This study applies a novel semiclassical molecular dynamics method to complex systems. The method accurately predicts spectroscopic changes, offering a practical tool for condensed phase simulations.

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