4.6 Review Book Chapter

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

Journal

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64
Volume 64, Issue -, Pages 387-413

Publisher

ANNUAL REVIEWS
DOI: 10.1146/annurev-physchem-040412-110122

Keywords

quantum dynamics; path integral; tunneling; zero-point energy; time-correlation function; semiclassical theory

Funding

  1. Leverhulme Trust
  2. EPSRC [grant EP/G00224X]
  3. Miller Institute at the University of California, Berkeley
  4. Wolfson Foundation
  5. Royal Society
  6. Stanford University
  7. US Office of Naval Research (USONR) [grant N00014-10-1-0884]
  8. National Science Foundation (NSF) [grant CHE-1057112]
  9. US Army Research Laboratory
  10. US Army Research Office [grant W911NF-10-1-0202]
  11. US Department of Energy (DOE), Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences [grant DE-FG02-11ER16247]
  12. Division Of Chemistry [1057112] Funding Source: National Science Foundation

Ask authors/readers for more resources

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.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.6
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available