Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamics.

We have used the ring-polymer molecular dynamics method to calculate approximate Kubo-transformed velocity autocorrelation functions and self-diffusion coefficients for low-pressure liquid para-hydrogen at temperatures of 25 and 14 K. The resulting diffusion coefficients are shown to be consistent w...

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Sonraí bibleagrafaíochta
Príomhchruthaitheoirí: Miller, T, Manolopoulos, D
Formáid: Journal article
Teanga:English
Foilsithe / Cruthaithe: 2005