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arXiv · 0909.2248

Electrical conductivity of high-pressure liquid hydrogen by quantum Monte Carlo methods

Fei Lin·Miguel A. Morales·Kris T. Delaney·Carlo Pierleoni·Richard M. Martin·D. M. Ceperley
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Abstract

We compute the electrical conductivity for liquid hydrogen at high pressure using quantum Monte Carlo. The method uses Coupled Electron-Ion Monte Carlo to generate configurations of liquid hydrogen. For each configuration correlated sampling of electrons is performed in order to calculate a set of lowest many-body eigenstates and current-current correlation functions of the system, which are summed over in the many-body Kubo formula to give AC electrical conductivity directly. The extrapolated DC conductivity at 3000 K for several densities shows a liquid semiconductor to liquid-metal transition at high pressure. Our results are in good agreement with shock-wave data.

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Fei Lin, Miguel A. Morales, Kris T. Delaney, Carlo Pierleoni, Richard M. Martin, D. M. Ceperley. 2010-01-22. Electrical conductivity of high-pressure liquid hydrogen by quantum Monte Carlo methods. https://doi.org/10.1103/physrevlett.103.256401

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