Recent multiple-shock experiments of hydrogen at very high pressures show a
transition from nonconducting to metallic behaviour at about 140 GPa and a
temperature of approximately 3000 K [1].
We simulate hydrogen at various densities and temperatures in the region of
this transition. As a theoretical tool we employ "Wave Packet Molecular Dy
namics" simulations. This method was originally used by Keller for a descri
ption of the scattering of composite particles like simple atoms and molecu
les [2]; later it was applied to Coulomb systems by Klakow et al. [3]. From
the simulations we can extract for example energies, pressure, structure i
nformation like pair-correlations and auto-correlation functions of current
and velocity as well as the resulting transport coefficients.
In this work we show the equation of state and proton-proton pair correlati
on functions for a constant electron number-density n = 2.016 x 10(29) m(-3
) (r(s) = 2). We compare our results with other theoretical approaches: Pat
h Integral Monte Carlo simulations of Magro et al. [5], Tight Binding Molec
ular Dynamics calculations of Lenosky et al. [7], and analytical approaches
via dissociation model by Nagel et al. [8] and the linear mixing model by
Ross [9].