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Variational mixed quantum/semiclassical simulation of dihalogen guest and rare-gas solid host dynamics

Xiaolu Cheng1, Jeffrey A Cina2

  • 1Department of Physics, and Oregon Center for Optics, University of Oregon, Eugene, Oregon 97403, USA.

The Journal of Chemical Physics
|July 24, 2014
PubMed
Summary

A new quantum-semiclassical theory simulates molecular dynamics in solids, revealing vibrational decoherence and energy dissipation. This method enables analysis of entangled system and bath dynamics for ultrafast optical experiments.

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