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在分子轨道教学中常遇到简并分子轨道如何确定的问题.因为非简并轨道的齐次线性方程组再加上归一化条件,恰好足以把全部组合系数确定下来(除了相因子可以任选而外);但是对于简并能级,独立方程数小于组合系数的个数,不足以把全部系数完全确定下来.那末简并轨道是怎样求得的?在不同的书上给出的简并轨道形式也不尽相同,这有没有实质性差异?怎样理解?也有的书上对两个简并分子轨道给出完全
It is often encountered in molecular orbital teaching how to determine the degenerate molecular orbitals, since the homogeneous linear equations of non-degenerate orbits, combined with the normalization conditions, are just enough to determine all the coefficients of the combination (except that the phase factor can be chosen But for the degenerate energy level, the number of independent equations is less than the number of the combination coefficients, so it is not enough to determine all the coefficients completely. So how is the degenerate orbit obtained? Degeneracy given in different books Orbital forms are not the same, there is no substantive differences? How to understand? Some books on the two degenerate orbit given completely