On the room-temperature phase diagram of high pressure hydrogen: An ab initio molecular dynamics perspective and a diffusion Monte Carlo study

Journal of Chemical Physics

Volumn 141, Issue 2, 2014, Pages

  Chen, Ji ^a   Ren, Xinguo ^b   Li, Xin Zheng ^a,c   Alfè, Dario ^d   Wang, Enge ^a,c  

^a PEKING UNIVERSITY   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^c School of Physics Peking University ^*  (China)

^d UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; HYDROGEN; MONTE CARLO METHODS; PHASE DIAGRAMS; PHASE STABILITY;

AB INITIO MOLECULAR DYNAMICS; DIFFUSION MONTE CARLO; DIFFUSION MONTE CARLO METHOD; DISSOCIATION BARRIER; HIGH PRESSURE HYDROGEN; PATH-INTEGRAL MOLECULAR DYNAMICS; RANDOM PHASE APPROXIMATIONS; TEMPERATURE AND PRESSURES;

MOLECULAR DYNAMICS;

EID: 84904351585     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4886075     Document Type: Article

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