Literature DB >> 15524818

Coupled electron-ion monte carlo calculations of dense metallic hydrogen.

Carlo Pierleoni1, David M Ceperley, Markus Holzmann.   

Abstract

We present an efficient new Monte Carlo method which couples path integrals for finite temperature protons with quantum Monte Carlo calculations for ground state electrons, and we apply it to metallic hydrogen for pressures beyond molecular dissociation. We report data for the equation of state for temperatures across the melting of the proton crystal. Our data exhibit more structure and higher melting temperatures of the proton crystal than do Car-Parrinello molecular dynamics results. This method fills the gap between high temperature electron-proton path integral and ground state diffusion Monte Carlo methods and should have wide applicability.

Entities:  

Year:  2004        PMID: 15524818     DOI: 10.1103/PhysRevLett.93.146402

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  Dissecting hydrophobicity.

Authors:  Giulia Galli
Journal:  Proc Natl Acad Sci U S A       Date:  2007-02-13       Impact factor: 11.205

2.  Phase separation in hydrogen-helium mixtures at Mbar pressures.

Authors:  Miguel A Morales; Eric Schwegler; David Ceperley; Carlo Pierleoni; Sebastien Hamel; Kyle Caspersen
Journal:  Proc Natl Acad Sci U S A       Date:  2009-01-26       Impact factor: 11.205

  2 in total

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