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arXiv · cond-mat/9601118

Molecular Dissociation in Hot, Dense Hydrogen

W. R. Magro·D. M. Ceperley·C. Pierleoni·B. Bernu
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Abstract

We present a path-integral Monte Carlo study of dissociation in dense hydrogen ($1.75 \leq r_s \leq 2.2$, with $r_s$ the Wigner sphere radius). As temperature is lowered from $10^5$ to 5000 K, a molecular hydrogen gas forms spontaneously from a neutral system of protons and electrons. At high density, $r_s < 2.0$, thermally activated dissociation is accompanied by decreasing pressure, signaling the presence of a first order transition and critical point. The decrease in electron kinetic energy during dissociation is responsible for the pressure decrease and transition. At lower density the phase transition disappears.

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W. R. Magro, D. M. Ceperley, C. Pierleoni, B. Bernu. 1996-01-24. Molecular Dissociation in Hot, Dense Hydrogen. https://doi.org/10.1103/physrevlett.76.1240

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