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量子蒙特卡罗方法测量高压液氢的电导率。

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

机构信息

Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.

出版信息

Phys Rev Lett. 2009 Dec 18;103(25):256401. doi: 10.1103/PhysRevLett.103.256401. Epub 2009 Dec 14.

Abstract

We compute the electrical conductivity for liquid hydrogen at high pressure using Monte Carlo techniques. The method uses coupled electron-ion Monte Carlo simulations 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. 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.

摘要

我们使用蒙特卡罗技术计算高压液态氢的电导率。该方法使用电子-离子耦合蒙特卡罗模拟来生成液态氢的构型。对于每个构型,都进行电子的关联抽样,以计算系统的一组最低多体本征态和电流-电流相关函数,然后在多体库珀公式中对这些函数进行求和,得到交流电导率。在几个密度下,我们计算出 3000 K 时的直流电导率,结果表明在高压下会发生从液体半导体到液体金属的转变。我们的结果与激波数据吻合较好。

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