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

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.

preprint2010arXivOpen access
Fei LinMiguel A. MoralesKris T. DelaneyCarlo PierleoniRichard M. MartinD. M. Ceperley
cond-mat.str-elcond-mat.mtrl-sci
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Open access6 authors2 topics
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Fei LinMiguel A. MoralesKris T. DelaneyCarlo PierleoniRichard M. MartinD. M. Ceperley

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