Microscopic structure factor of liquid para-hydrogen

Autor(en)

Marco Zoppi, Martin Neumann, M Celli

Abstrakt

We have calculated, by means of path integral Monte Carlo (PIMC) simulations, the microscopic structure factor of liquid para-hydrogen at T.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.

Organisation(en)

Externe Organisation(en)

Consiglio Nazionale delle Ricerche

Journal

Physical Review B

Band

65

Anzahl der Seiten

4

ISSN

1098-0121

DOI

https://doi.org/10.1103/PhysRevB.65.092204

Publikationsdatum

2002

Peer-reviewed

Ja

ÖFOS 2012

1030 Physik, Astronomie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/fab6f66b-7482-4c32-8097-6de5a327467a