Path integral monte carlo calculation of the deuterium hugoniot
Restricted path integral Monte Carlo simulations have been used to calculate the equilibrium properties of deuterium for two densities: 0.674 and 0.838 g cm(-3) ( r(s) = 2.00 and 1.86) in the temperature range of 10(5)</=T</=10(6) K. We carefully assess size effects and dependence on the time step of the path integral. Further, we compare the results obtained with a free particle nodal restriction with those from a self-consistent variational principle, which includes interactions and bound states. By using the calculated internal energies and pressures, we determine the shock Hugoniot and compare with recent laser shock wave experiments as well as other theories.
Militzer
B
Department of Physics, National Center for Supercomputing Applications, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
Ceperley
DM