For the molecular orbital, the irreducible representation component is analyzed besides the membership function of the fuzzy symmetry transformation. 对于分子轨道,除模糊对称变换的隶属函数外,分析了所属不可约表示成分。
And again, I want to point out that a molecular orbital, we can also call that a wave function, they're the same thing. 同样,我要指出的是,一个分子轨道,我们也可以叫它波函数,这是一件事情。
If we overlay what the actual molecular orbital is on top of it, what you see is that in the center you end up cancelling out the wave function entirely. 如果我们把真实的分子轨道覆盖在上面,你可以看到中间的,波函数是完全抵消掉了。
Based on molecular orbital method and LCAO-MO, the text computes the molecular orbital wave function with the Huckel molecular orbital method, gets the six π bond electron ′ s eigenfunction and eigenvalue of benzene. 本文在分子轨道法和分子轨道的原子线性组合法的基础上采用huckel近似,对苯环的分子轨道波函数进行了计算,得出了苯环的6个π键的原子轨道波函数和本征值。