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...
| Hlavní autoři: | , |
|---|---|
| Médium: | Journal article |
| Jazyk: | English |
| Vydáno: |
2005
|