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Ground-State Structures of Ice at High-Pressures
High-Pressures Ground-State Structures Ice
2011/9/13
Ab initio random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies,ic...
Triatomic and chained molecular phases of metallic hydrogen at ultra-high pressures
Triatomic chained molecular phases metallic hydrogen ultra-high pressures
2010/11/11
It is long believed that steadily compressed hydrogen beyond 400 GPa might undergo a transition from a proton-paired insulator to a monatomic metal, associating with dissociation of the molecules. A ...