Microscopic structure factor of liquid para-hydrogen
Abstract
We have calculated, by means of path integral Monte Carlo (PIMC) simulations, the microscopic structure factor of liquid para-hydrogen at T=15.7 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.
- Publication:
-
Physical Review B
- Pub Date:
- March 2002
- DOI:
- 10.1103/PhysRevB.65.092204
- Bibcode:
- 2002PhRvB..65i2204Z
- Keywords:
-
- 67.20.+k;
- 61.12.-q;
- 61.20.Ja;
- Quantum effects on the structure and dynamics of nondegenerate fluids;
- Neutron diffraction and scattering;
- Computer simulation of liquid structure