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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Published on: September 17, 2021

Semiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules

Vyacheslav N Gorshkov1, Sergei Tretiak, Dmitry Mozyrsky

  • 1Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.

Nature Communications
|July 19, 2013
PubMed

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