skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: The molecular to atomic phase transition in high pressure hydrogen

Journal Article · · Physical Review Letters
; ;

Research Organization:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC52-07NA27344
OSTI ID:
1229831
Report Number(s):
LLNL-JRNL-648560
Journal Information:
Physical Review Letters, Vol. 114, Issue 10; ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English

References (48)

The properties of hydrogen and helium under extreme conditions journal November 2012
Mixed Molecular and Atomic Phase of Dense Hydrogen journal March 2012
High-Pressure Measurements of Hydrogen Phase IV Using Synchrotron Infrared Spectroscopy journal May 2013
Ultrahigh-pressure transitions in solid hydrogen journal April 1994
A quantum fluid of metallic hydrogen suggested by first-principles calculations journal October 2004
Melting Line of Hydrogen at High Pressures journal April 2008
Evidence of maximum in the melting curve of hydrogen at megabar pressures journal April 2009
Bonding changes in hot fluid hydrogen at megabar pressures journal March 2011
Liquid-liquid phase transition in compressed hydrogen from first-principles simulations journal March 2003
Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations journal June 2010
Evidence of a liquid-liquid phase transition in hot dense hydrogen journal April 2013
A superconductor to superfluid phase transition in liquid metallic hydrogen journal October 2004
Quantum simulation of low-temperature metallic liquid hydrogen journal June 2013
Conductive dense hydrogen journal November 2011
Synchrotron Infrared Measurements of Dense Hydrogen to 360 GPa journal April 2012
Bonding, structures, and band gap closure of hydrogen at high pressures journal January 2013
Hydrogen at extreme pressures (Review Article) journal May 2013
Room-temperature structures of solid hydrogen at high pressures journal August 2012
Proton or Deuteron Transfer in Phase IV of Solid Hydrogen and Deuterium journal January 2013
Graphene physics and insulator-metal transition in compressed hydrogen journal July 2013
Electronic excitations and metallization of dense solid hydrogen journal July 2013
Hydrogen phase IV revisited via synchrotron infrared measurements in H 2 and D 2 up to 290 GPa at 296 K journal April 2013
Proton tunneling in phase IV of hydrogen and deuterium journal December 2012
Optical studies of solid hydrogen to 320 GPa and evidence for black hydrogen journal April 2002
Nuclear Quantum Effects and Nonlocal Exchange-Correlation Functionals Applied to Liquid Hydrogen at High Pressure journal February 2013
Towards a predictive first-principles description of solid molecular hydrogen with density functional theory journal May 2013
Ground State of the Electron Gas by a Stochastic Method journal August 1980
Equation of state of metallic hydrogen from coupled electron-ion Monte Carlo simulations journal February 2010
First-Principles Studies of the Metallization and the Equation of State of Solid Helium journal September 2008
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions journal November 2008
Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures journal October 2011
Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy journal September 2013
Hybrid algorithms in quantum Monte Carlo journal December 2012
Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions journal March 2007
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
Generalized Gradient Approximation Made Simple journal October 1996
Twist-averaged boundary conditions in continuum quantum Monte Carlo algorithms journal June 2001
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Van der Waals Density Functional for General Geometries journal June 2004
Structure of phase III of solid hydrogen journal May 2007
Benchmarking exchange-correlation functionals for hydrogen at high pressures using quantum Monte Carlo journal May 2014
Higher-accuracy van der Waals density functional journal August 2010
Improved hybrid functional for solids: The HSEsol functional journal January 2011
Hybrid functionals based on a screened Coulomb potential journal May 2003
Quantum Monte Carlo study of high pressure solid molecular hydrogen journal November 2013
Dissociation of High-Pressure Solid Molecular Hydrogen: A Quantum Monte Carlo and Anharmonic Vibrational Study journal April 2014
Fate of density functional theory in the study of high-pressure solid hydrogen journal July 2013

Similar Records

Molecular to Atomic Phase Transition in Hydrogen under High Pressure
Journal Article · Fri Mar 13 00:00:00 EDT 2015 · Physical Review Letters · OSTI ID:1229831
+1 more
High-Pressure Equation of State of 1,3,5-triamino-2,4,6-trinitrobenzene: Insights into the Monoclinic Phase Transition, Hydrogen Bonding, and Anharmonicity
Journal Article · Wed Dec 02 00:00:00 EST 2020 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory · OSTI ID:1229831
+2 more
High-pressure phase transition of alkali metal–transition metal deuteride Li2PdD2
Journal Article · Mon Jun 19 00:00:00 EDT 2017 · Journal of Chemical Physics · OSTI ID:1229831
+5 more

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY