期刊
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64
卷 64, 期 -, 页码 387-413出版社
ANNUAL REVIEWS
DOI: 10.1146/annurev-physchem-040412-110122
关键词
quantum dynamics; path integral; tunneling; zero-point energy; time-correlation function; semiclassical theory
资金
- Leverhulme Trust
- EPSRC [grant EP/G00224X]
- Miller Institute at the University of California, Berkeley
- Wolfson Foundation
- Royal Society
- Stanford University
- US Office of Naval Research (USONR) [grant N00014-10-1-0884]
- National Science Foundation (NSF) [grant CHE-1057112]
- US Army Research Laboratory
- US Army Research Office [grant W911NF-10-1-0202]
- US Department of Energy (DOE), Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences [grant DE-FG02-11ER16247]
- Division Of Chemistry [1057112] Funding Source: National Science Foundation
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.
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