Graham-Schmidt procedure

The state R in Equation 6.4 strictly keeps the HL wave function of the product P, and is hence a quasi/spectroscopic state that has a finite overlap with R. If one orthogonalizes the pair of states R and R, by, for example, a Graham—Schmidt procedure (see Exercise 6.3), the excited state becomes a pure spectroscopic state in which the A—Y is in a triplet state and is coupled to X to yield a doublet state. In such an event, one could simply use, instead of Equation 6.5, the spectroscopic gap Gs in Equation 6.6 that is simply the singlet—triplet energy gap of the A—Y bond ... 

Since the two wave functions overlap, we can form from them two orthogonal wave functions using the Graham—Schmidt orthogonalization procedure,... 

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See also in sourсe #XX -- [ , , ]

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