High-pressure phases of calcium: Density-functional theory and diffusion quantum Monte Carlo approach

Physical Review Letters

Volumn 105, Issue 23, 2010, Pages

  Teweldeberhan, A M ^a   Dubois, J L ^a   Bonev, S A ^a,b  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^b DALHOUSIE UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLINE STRUCTURE; DIFFUSION QUANTUM MONTE CARLO; DIFFUSION QUANTUM MONTE CARLO ( DMC) CALCULATIONS; GENERALIZED GRADIENT APPROXIMATIONS; HIGH-PRESSURE PHASIS; RELATIVE STABILITIES; ROOM TEMPERATURE;

CALCIUM; MONTE CARLO METHODS; PHASE DIAGRAMS; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 78649808539     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.105.235503     Document Type: Article

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