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摘要: 基于团簇理论并计及邻近和次邻近原子对中心原子的屏蔽作用,我们用完全量子力学方法计算了hcp结构固态氦的原子多体作用排斥势和等温压缩线。计算结果与5~25 GPa范围的静高压实验结果吻合较好。表明本文方法与过去提出的原子相互作用势相比,是合理的和比较好的。本文还对Aziz二体势、Loubeyre三体势和Ross和Young等效势的局限性做了讨论。Abstract: Based on the theory of atomic cluster and taking account of the screening effects induced by nearest-neighbor and next nearest-neighbor atoms, we have calculated the many-body repulsive potential and isothermal compression curve for solid helium with hcp lattice configuration. The calculation result is in agreement with the experimental data that obtained from high static-pressure measurements covering pressure range of about 5~25 GPa, and therefore also more reasonable than those previously proposed. Discussions on the limitations of two-body potential of Aziz, three-body potential of Loubeyre, and equivalent potential of Ross and Young are also given in the paper.
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