Electron-Ion Path Integral Monte Carlo with Hard Core

Researchers have conducted numerical path integral Monte Carlo experiments on metallic hydrogen from first principles. The study focused on a quantum two-component plasma, simulating pointwise particles of negative charge and charged hard spheres of positive charge.

The simulations investigated both additive and non-additive mixtures, with a specific focus on the hard core interaction between unlike species. The experiments were specialized to an electron-proton plasma with a 1:1 molar ratio between the two species.

Thermodynamic and structural properties of the plasma were measured. Analysis of the structure revealed a transition from a metallic hydrogen phase to a molecular hydrogen phase as temperature decreased, with diminished correlations observed at high densities.