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Microscopic Structure Factor of Liquid Para-Hydrogen

Academic Article
Publication Date:
2002
abstract:
We have calculated, by means of path integral Monte Carlo (PIMC) simulations, the microscopic structure factor of liquid para-hydrogen at T=515.7 K. The present simulation results are compared with a recent experimental determination of the structure factor at a similar thermodynamic state, as well as with a previous path integral centroid molecular dynamics (PICMD) simulation. The comparison is less than satisfactory. While the PICMD results are not consistent with the PIMC data, also the experimental results do not quantitatively agree with the present simulations and are not of the accuracy level attainable for other simple liquids.
Iris type:
01.01 Articolo in rivista
List of contributors:
Zoppi, Marco; Celli, Milva
Authors of the University:
CELLI MILVA
Handle:
https://iris.cnr.it/handle/20.500.14243/22304
Published in:
PHYSICAL REVIEW. B, CONDENSED MATTER
Journal
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