Path integral Monte Carlo simulation of the lowdensity hydrogen plasma
Abstract
Restricted path integral Monte Carlo simulations are used to calculate the equilibrium properties of hydrogen in the density and temperature range of 9.83×10^{4}<=ρ<=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.
 Publication:

Physical Review E
 Pub Date:
 June 2001
 DOI:
 10.1103/PhysRevE.63.066404
 arXiv:
 arXiv:physics/0101079
 Bibcode:
 2001PhRvE..63f6404M
 Keywords:

 62.50.+p;
 02.70.Rr;
 05.30.d;
 Highpressure and shock wave effects in solids and liquids;
 General statistical methods;
 Quantum statistical mechanics;
 Physics  Plasma Physics;
 Physics  Computational Physics
 EPrint:
 12 pages, 21 figures, submitted for Phys. Rev. E