Ring-polymer molecular dynamics: quantum effects in chemical dynamics from classical trajectories in an extended phase space

Annu Rev Phys Chem. 2013:64:387-413. doi: 10.1146/annurev-physchem-040412-110122. Epub 2013 Jan 7.

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.