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This study applies path integral Monte Carlo methods to model metallic hydrogen, revealing a temperature-driven phase transition between metallic and molecular states within a quantum two-component plasma. By incorporating hard-core repulsion between unlike species, the research provides first-principles insights into the structural and thermodynamic properties of electron-proton plasmas at varying densities. These findings advance computational physics by refining the understanding of quantum correlations in extreme matter conditions relevant to high-density plasma research.
Electron-Ion Path Integral Monte Carlo with Hard Core
arXiv:2606.04667v1 Announce Type: cross Abstract: We performed numerical (restricted) path integral Monte Carlo experiments on metallic Hydrogen from first principles. We study a quantum two component plasma where one component is made of pointwise particles of negative unitary charge and the other is made of charged hard spheres of positive unitary charge. We study both the additive mixture and a nonadditive mixture where we only keep a hard core between unlike species. We specialize to the case of the electron-proton plasma with a 1:1 ratios between the molar fraction of the two species. We measured thermodynamic and structural properties of the plasma. From an analysis of the structure we see a transition from a metallic Hydrogen phase, to a molecular Hydrogen phase as the temperature is lowered. As expected at high density the correlations are diminished.
Abstract:We performed numerical (restricted) path integral Monte Carlo experiments on metallic Hydrogen from first principles. We study a quantum two component plasma where one component is made of pointwise particles of negative unitary charge and the other is made of charged hard spheres of positive unitary charge. We study both the additive mixture and a nonadditive mixture where we only keep a hard core between unlike species. We specialize to the case of the electron-proton plasma with a 1:1 ratios between the molar fraction of the two species. We measured thermodynamic and structural properties of the plasma. From an analysis of the structure we see a transition from a metallic Hydrogen phase, to a molecular Hydrogen phase as the temperature is lowered. As expected at high density the correlations are diminished.
Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph); Computational Physics (physics.comp-ph); Plasma Physics (physics.plasm-ph); Quantum Physics (quant-ph)
arXiv:2606.04667 [cond-mat.mtrl-sci]
(or arXiv:2606.04667v1 [cond-mat.mtrl-sci] for this version)
https://doi.org/10.48550/arXiv.2606.04667 arXiv-issued DOI via DataCite (pending registration)
From: Riccardo Fantoni Dr. [view email] [v1] Wed, 3 Jun 2026 09:45:40 UTC (149 KB)
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