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    Yang Shiqing, Gou Qingquan. The Full Quantum Mechanics Calculation of the Total Energy for the Face-Centered Cubic Structure of Metallic Hydrogen[J]. Chinese Journal of Chemical Physics , 1995, 8(3): 236-244.
    Citation: Yang Shiqing, Gou Qingquan. The Full Quantum Mechanics Calculation of the Total Energy for the Face-Centered Cubic Structure of Metallic Hydrogen[J]. Chinese Journal of Chemical Physics , 1995, 8(3): 236-244.

    The Full Quantum Mechanics Calculation of the Total Energy for the Face-Centered Cubic Structure of Metallic Hydrogen

    • The channels are seleted by employing the physical model which electron instatanous resonance forms unsaturated covalent. The total energy for the face-centered cubic structure of metallic hydrogen is calculated by means of the modified arrangement channel quantum mechanics. The energy is the function of the separation R between two nuclei at the center and an apex of cubic-octahedron central structure. The present result has a minimal energy -7.754a.u. at R = 1.70a0. This means that the face-centered cubic structure of metallic hydrogen is stable. Meanwhile, we proved the resonableness of the mechanism for the metallization of solid hydrogenunder high pressure.
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