【摘要】 采用改进的排列通道量子力学方法和变分法对H7体系的正八面体中心结构进行了能量计算,结果表明,当r=1 24a0时,体系达到能量最低值-4 1445a.u.,得到了较理想的结果.更多还原

【Abstract】 By a modified arrangmement channel quantum mechanics method and variational method,the energy curve for the regular octahedral structure of H₇ was calculated.The result shows that the curve has a minimal energy of -4.144 5 a.u. when R=1.24a₀,which is quite desirable.更多还原