Coupled electron-ion monte carlo calculations of dense metallic hydrogen

Carlo Pierleoni, David M. Ceperley, Markus Holzmann

Research output: Contribution to journalArticlepeer-review

Abstract

The quantum Monte Carlo (QMC) method which couples path integrals for finite temperature protons with Monte Carlo calculation with ground state electron was developed. The QMC applied to metallic hydrogen for pressure beyond molecular dissociation. It was found that the equation of state for melting temperatures of the proton crystal than do Car-Parrinell molecular dynamics results. The results show that the method fills the gap between high temperature electron-proton path integral and ground state diffusion Monte Carlo methods.

Original languageEnglish (US)
Article number146402
Pages (from-to)146402-1-146402-4
JournalPhysical review letters
Volume93
Issue number14
DOIs
StatePublished - Oct 1 2004

ASJC Scopus subject areas

  • General Physics and Astronomy

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