Wave packet simulation of dense hydrogen

B. Jakob, P.-G. Reinhard, C. Toepffer, and G. Zwicknagel
Phys. Rev. E 76, 036406 – Published 26 September 2007

Abstract

Dense hydrogen is studied in the framework of wave packet molecular dynamics. In this semiquantal many-body simulation method the electrons are represented by wave packets which are suitably parametrized. The equilibrium properties and time evolution of the system are obtained with the help of a variational principle. At room temperature the results for the isotherms are in good agreement with anvil experiments. At higher densities beyond the range of the experimental data a transition from a molecular to a metallic state is predicted. The wave packets become delocalized and the electrical conductivity increases sharply. The phase diagram is calculated in a wide range of the pressure-density-temperature space. The observed transition from the molecular to metallic state is accompanied by an increase in density in agreement with recent reverberating shock wave experiments.

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  • Received 15 February 2007

DOI:https://doi.org/10.1103/PhysRevE.76.036406

©2007 American Physical Society

Authors & Affiliations

B. Jakob, P.-G. Reinhard, C. Toepffer, and G. Zwicknagel

  • Institut für Theoretische Physik II, Universität Erlangen-Nürnberg, Staudtstrasse 7, D-91058 Erlangen, Germany

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Issue

Vol. 76, Iss. 3 — September 2007

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