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Journal article

Comparison of approximate quantum simulation methods applied to normal liquid helium at 4 K.

Abstract:

The Feynman-Kleinert linearized path integral molecular dynamics (FK-LPI), ring polymer molecular dynamics (RPMD), and centroid molecular dynamics (CMD) methods are applied to the simulation of normal liquid helium. Comparisons of the simulation results at the T = 4 K and rho = 0.01873 A-3 state point are presented. The calculated quantum correlation functions for the three methods show significant differences, both in the short time and in the intermediate regions of the spectrum. Our simula...

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Publication status:
Published

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Publisher copy:
10.1021/jp075022n

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Role:
Author
Journal:
The journal of physical chemistry. B
Volume:
112
Issue:
2
Pages:
294-300
Publication date:
2008-01-05
DOI:
EISSN:
1520-5207
ISSN:
1520-6106
URN:
uuid:dde6ec11-ff66-4fc6-81a1-7fb270309f4c
Source identifiers:
34053
Local pid:
pubs:34053
Language:
English

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