期刊
JOURNAL OF CHEMICAL PHYSICS
卷 121, 期 13, 页码 6412-6422出版社
AMER INST PHYSICS
DOI: 10.1063/1.1780951
关键词
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Centroid molecular dynamics (CMD) is applied to the study of collective and single-particle dynamics in liquid para-hydrogen at two state points and liquid ortho-deuterium at one state point. The CMD results are compared with the results of classical molecular dynamics, quantum mode coupling theory, a maximum entropy analytic continuation approach, pair-product forward- backward semiclassical dynamics, and available experimental results. The self-diffusion constants are in excellent agreement with the experimental measurements for all systems studied. Furthermore, it is shown that the method is able to adequately describe both the single-particle and collective dynamics of quantum liquids. (C) 2004 American Institute of Physics.
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