Path Integral Monte Carlo Simulation of the Low-Density Hydrogen Plasma
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Path Integral Monte Carlo Simulation of the Low-Density Hydrogen Plasma

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B. Militzer and D.M. Ceperley

Restricted path integral Monte Carlo simulations are used to
calculate the equilibrium properties of hydrogen in the density
and temperature range of 9.83*10^{-4} < rho < 0.153 gcm^{-3}
and 5000 < T < 250000 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.

Phys. Rev. E, **63** (2001) 066404.