Path integral Monte Carlo calculation of the deuterium Hugoniot

被引:247
作者
Militzer, B [1 ]
Ceperley, DM [1 ]
机构
[1] Univ Illinois, Natl Ctr Supercomp Applicat, Dept Phys, Urbana, IL 61801 USA
关键词
D O I
10.1103/PhysRevLett.85.1890
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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) less than or equal to T less than or equal to 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.
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收藏
页码:1890 / 1893
页数:4
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