摘要
本文利用电子瞬时配对形成未饱和共价键的物理模型来划分通道，将改进的排列通道量子力学方法推广应用于面心立方的金属氢结构与能量的理论计算。结果发现，当中心原子与周围项角间距Ｒ０＝１．７０Ａ０时，总能量有一极小值－７．７５４（ｈ．ａ．ｕ．），表明金属氢的面心立方结构是稳定存在的，从而通过定量理论计算验证了金属氢高压合成机理的合理性。
Abstract 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.
