【摘要】 在单中心球模型近似下,选用类F原子解析波函数,用变分法计算了H9团簇的体心立方结构与能量.结果表明,当中心氢原子核到顶角氢原子核之间的距离R=1.59a0时,体系能量有一极小值E=-5.17h0(a0=0.529177×10-10m,h0=27.2eV);表明H9团簇的体心立方结构是稳定的,H9团簇是可能存在的.更多还原

【Abstract】 The simple fluorine wave functions are chosen as the electronic wave functions of the H9 cluster with one center spherical model approximation. The energy curve of the bodycentered cubic structure of the H9 cluster is calculated by means of variational method. The result of the calculation shows that the cure has a minimal energy E=-5.17h0 (at R=1.59a0,a0=0.529177×10-10m,h0=27.2eV). This means that the bodycentered cubic structure of the H9 cluster may exist stably.更多还原