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
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- FWCI
- 32.48
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- 100%
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Authors
4Topics & keywords
Topics
Keywords
- Phase space
- Ring (chemistry)
- Dynamics (music)
- Quantum
- Quantum dynamics
- Molecular dynamics
- Statistical physics
- Space (punctuation)
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