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

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...

Bibliografski detalji
Glavni autori:	Miller, T, Manolopoulos, D
Format:	Journal article
Jezik:	English
Izdano:	2005

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