English

Unexpectedly high pressure for molecular dissociation in liquid hydrogen by a reliable electronic simulation

Chemical Physics 2014-04-23 v1 Materials Science

Abstract

The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about one century as it remains a fundamental challenge for experimental and theoretical techniques. Here we employ an efficient molecular dynamics based on the quantum Monte Carlo method, which can describe accurately the electronic correlation and treat a large number of hydrogen atoms, allowing a realistic and reliable prediction of thermodynamic roperties. We find that the molecular liquid phase is unexpectedly stable and the transition towards a fully atomic liquid phase occurs at much higher pressure than previously believed. The old standing problem of low temperature atomization is, therefore, still far from experimental reach.

Keywords

Cite

@article{arxiv.1404.5471,
  title  = {Unexpectedly high pressure for molecular dissociation in liquid hydrogen by a reliable electronic simulation},
  author = {Guglielmo Mazzola and Seiji Yunoki and Sandro Sorella},
  journal= {arXiv preprint arXiv:1404.5471},
  year   = {2014}
}

Comments

9 pages and supplementary informations