Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures

Journal of Physics Condensed Matter

Volumn 25, Issue 8, 2013, Pages

  Li, Xin Zheng ^a,b   Walker, Brent ^a   Probert, Matthew I J ^c   Pickard, Chris J ^a   Needs, Richard J ^d   Michaelides, Angelos ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b PEKING UNIVERSITY   (China)

^c UNIVERSITY OF YORK   (United Kingdom)

^d UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ANHARMONIC; ATOMIC LEVELS; DENSITY FUNCTIONALS; FINITE TEMPERATURES; HIGH-PRESSURE SOLIDS; INTERMOLECULAR INTERACTIONS; MEGABAR; MOLECULAR ROTATIONS; NONLOCAL; NUCLEAR EFFECTS; NUCLEAR MOTIONS; NUCLEAR POSITIONS; PATH-INTEGRAL MOLECULAR DYNAMICS; PERDEW-BURKE-ERNZERHOF EXCHANGE-CORRELATION FUNCTIONAL; PHASE II; QUANTUM FLUCTUATION; SOLID HYDROGEN; UNIT CELLS; VIBRATIONAL MOTIONS;

CALCULATIONS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PHASE DIAGRAMS; PROTONS; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS; STEREOCHEMISTRY; VAN DER WAALS FORCES;

HYDROGEN;

HYDROGEN; PROTON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COLD; MOLECULAR DYNAMICS; PRESSURE; QUANTUM THEORY; THERMODYNAMICS;

COLD TEMPERATURE; HYDROGEN; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PRESSURE; PROTONS; QUANTUM THEORY; THERMODYNAMICS;

MLCS; MLOWN;

EID: 84873308468     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/8/085402     Document Type: Article

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