【摘要】 本文根据文献〔1〕提出的电子瞬时配对形成未饱和共价键的物理模型,利用ACQM〔2〕方法对H₉体心立方结构和能量进行了计算和研究。获得了这种构型的势能曲线,结果表明在r=1.55a₀处有一极小能量—5.10a.u.。更多还原

【Abstract】 The potential energy curve for the body-centred Cubic structure of H9 system is calculated by the ACQM method. The result of the calculation shows that the curve has a minimal energy -5.10 a. u. at r = 1.55a0. This means that the body-centred cubic structure is a more stable structure of H9.更多还原