图示分子轨道时,节面性质是其重要特征,无论是LCAO·MO或FEMO,它们的节面分布规律是相似的。这是因为,从物理意义来说稳定态可用驻波类比,而“节”正是驻波的特征。从数学意义来说,同一能量算符的不同本征函数是正交的,而节面的出现正是这一正交性的必然结果。所以波函数的节面性质反映了 The nodal properties are important features when plotting molecular orbitals, and their nodal distributions are similar for either LCAO · MO or FEMO. This is because, in a physical sense, the steady-state is comparable to the standing wave, and the “node” is the characteristic of a standing wave. Mathematically, the different eigenfunctions of the same energy operator are orthogonal, and the appearance of the nodal plane is the corollary of this orthogonality. So the nodal nature of the wave function reflects