articleAnnual Review of Physical ChemistryJan 9, 2013Closed access

Ring-Polymer Molecular Dynamics: Quantum Effects in Chemical Dynamics from Classical Trajectories in an Extended Phase Space

University of Warwick · University of Oxford · +2 more institutions

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Abstract

This article reviews the ring-polymer molecular dynamics model for condensed-phase quantum dynamics. This model, which involves classical evolution in an extended ring-polymer phase space, provides a practical approach to approximating the effects of quantum fluctuations on the dynamics of condensed-phase systems. The review covers the theory, implementation, applications, and limitations of the approximation.

Citation impact

719
total citations
FWCI
32.48
Percentile
100%
References
130
Citations per year

Authors

4

Topics & keywords

Keywords
  • Phase space
  • Ring (chemistry)
  • Dynamics (music)
  • Quantum
  • Quantum dynamics
  • Molecular dynamics
  • Statistical physics
  • Space (punctuation)
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