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 properties. 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.
journal_name
Nat Communjournal_title
Nature communicationsauthors
Mazzola G,Yunoki S,Sorella Sdoi
10.1038/ncomms4487subject
Has Abstractpub_date
2014-03-19 00:00:00pages
3487issn
2041-1723pii
ncomms4487journal_volume
5pub_type
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