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- W1536704469 abstract "The ground-state configurations of compressed hydrogen are studied, by the band theoretical calculation using the local-density approximation and plane-wave basis. Results for the total energies are shown for several structures in molecular and metallic phases and compared with previous results by the structural expansion, the FLAPW method and the plane-wave method. Possibilities for the appearance of “filamentary” and “planar” structures are pointed out, in metallic hydrogen. Density dependence of the energy band gap is examined for Pa3 and HCP structures of molecular phase, in comparison with previous results. The energy corrections from the omitted plane-wave basis are evaluated by a perturbative approach. The intramolecular vibron frequency and the equilibrium bond length are calculated and compared with the experimental results." @default.
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- W1536704469 date "1990-01-01" @default.
- W1536704469 modified "2023-09-25" @default.
- W1536704469 title "STRUCTURAL PHASE TRANSITIONS IN DENSE HYDROGEN" @default.
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- W1536704469 doi "https://doi.org/10.1016/b978-0-444-88363-6.50087-x" @default.
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