超原子氢：在低于金属氢的压力下实现氢原子的有效聚集
Superatomic hydrogen: achieving effective aggregation of hydrogen atoms at pressures lower than that of metallic hydrogen
AI总结：
针对金属氢需数百GPa以上极端压力的难题，提出超原子氢模型，经高精度从头算验证H13体系成超原子态的压力比金属氢低约两个数量级且具备金属氢电子离域特性，为核聚变等领域应用开辟新前景。
摘要：
具有电子离域特性的金属氢被认为是实现可控核聚变的重要潜在材料，但其所需的数百GPa以上的极端压力条件仍是一项艰巨的挑战。本文提出了一种超原子氢模型，旨在降低单质氢原子有效聚集所需的压力条件。高精度从头算表明，将具有1个中心原子和12个周围原子的H13体系压缩至超原子态所需的压力比金属氢低约两个数量级。原子级分析显示，在压缩H13的超原子态中，中心H原子给出其电子，所有电子都离域在超原子分子轨道上，符合金属氢的特性。本研究的发现原则上为超原子氢在核聚变等领域的应用开辟了前景。
英文摘要：
Metal hydrogen exhibiting electron delocalization properties has been recognized as an important prospect for achieving controlled nuclear fusion, but the extreme pressure conditions required exceeding hundreds of GPa remain a daunting challenge. Here, we propose a model of superatomic hydrogen, aiming to reduce the pressure conditions required for the effective aggregation of elemental hydrogen atoms. High-precision ab initio calculations indicate that the pressure required to compress the H13 system with one central atom and 12 surrounding atoms into a superatomic state is approximately two orders of magnitude lower than that of metallic hydrogen. Atomic-level analyses reveal that in the superatomic state of compressed H13, the central H atom donates its electron, and all electrons are delocalized on the superatomic molecular orbitals, which conforms to properties of metallic hydrogen. Our discovery in principle opens up the prospect of superatomic hydrogen in areas such as nuclear fusion.
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