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Phys Rev E Stat Nonlin Soft Matter Phys. 2001 Jun;63(6 Pt 2):066404. Epub 2001 May 23.

Path integral Monte Carlo simulation of the low-density hydrogen plasma.

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  • 1Lawrence Livermore National Laboratory, University of California, Livermore, California 94550, USA. militzer@llnl.gov

Abstract

Restricted path integral Monte Carlo simulations are used to calculate the equilibrium properties of hydrogen in the density and temperature range of 9.83 x 10(-4)</=rho</=0.153 g cm(-3) and 5000</=T</=250 000 K. We test the accuracy of the pair density matrix and analyze the dependence on the system size, on the time step of the path integral, and on the type of nodal surface. We calculate the equation of state and compare with other models for hydrogen valid in this regime. Further, we characterize the state of hydrogen and describe the changes from a plasma to an atomic and molecular liquid by analyzing the pair correlation functions and estimating the number of atoms and molecules present.

PMID:
11415232
[PubMed]
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