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A semiclassical study of the thermal conductivity of low temperature liquids
30. D. A. McQuarrie, Statistical Mechanics (University Science Books, Sausalito, CA, 2000).
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51.This further simplifying approximation is fine for the thermal conductivity because it is a transport property (i.e., zero-frequency mode) and it should not matter whether we follow the path integral bead or the centroid. However, we do not recommend it when the whole spectrum of the correlation function is needed. The local Gaussian approximation (Ref. 5) or several other approximations will be more appropriate.
53. N. B. Vargaftik, Tables on the Thermophysical Properties of Liquids and Gases: in Normal and Dissociated States, (Hemisphere, New York, 1975).
54. Thermodynamic Properties of Neon, Argon, Krypton, and Xenon, edited by V. A. Rabinovich, A. A. Vasserman, V. I. Nedostup, and L. S. Veksler (Springer-Verlag, Berlin, 1988).
58. B. I. Verkin, Handbook of Properties of Condensed Phases of Hydrogen and Oxygen, Revised and Augmented English ed. (Hemisphere, New York, 1990).
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66.The agreement with experiment for liquid neon, however, is most likely fortuitous, since the uncertainty in the pair potential as well as the many-body contribution to the potential at liquid densities could lead to larger errors to the thermal conductivity than the quantum corrections. For instance, as we have already tested and as shown (for the classical simulation) in Ref. 52, the thermal conductivity for the conventional Lennard-Jones potential for liquid neon is 10% –20% different from that for the ab initio-based potential presented in the current manuscript.
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