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.
The simple fluorine wave functions are chosen as the electronic wave functions of the H9 cluster with one center spherical model approximation. The energy curve of the bodycentered cubic structure of the H9 cluster is calculated by means of variational method. The result of the calculation shows that the cure has a minimal energy E=-5.17h0 (at R=1.59a0,a0=0.529177×10-10m,h0=27.2eV). This means that the bodycentered cubic structure of the H9 cluster may exist stably.
出处
《四川大学学报（自然科学版）》
CAS
CSCD
北大核心
2003年第3期485-487,共3页
Journal of Sichuan University(Natural Science Edition)
关键词
H9团簇
单中心球模型近似
变分法
H_9 cluster
one center spherical model approximation
variational method
