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...
| Main Authors: | , |
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| Format: | Journal article |
| Sprog: | English |
| Udgivet: |
2005
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