Zero-order induction theory

The zero-order induction approach differs from its parent R-SRS+ELHAV (Eq. 73) or R-SRS+SAM (Eq. 79) theory in the specific choice of the zero-order Hamiltonian and the regular part of the perturbation operator. These operators are replaced by new operators Hq = Ha + Hb and Vp defined such that the effects of the (regularized) induction interaction are included in the zeroth order. Specifically, one can set Ha = Ha + 2B and Hb = Hb + where... 

The support of version 4 (relations of any non-zero arity) is actually a pretty straightforward extension, but the needed vectorizations imply a complication of notations. Some illustrations during the presentation of the synthesis mechanism actually do require version 4, but we assume the reader can easily extrapolate how the theory has to be expanded in order to accommodate them. Version 4 is actually supported by the implementation of the mechanism. The support of any number of minimal or non-minimal forms and of compound induction parameters is considered future research. Note that Section 5.2.2 showed that single minimal forms and non-minimal forms are actually more frequent than one might believe at first sight. 

Numerous computations of the various reactivity indices of molecular orbital theory have been made. As regards 7r-electron densities, a number of results have been summarized already in Table 3.1. Generally, the Hiickel method gives 7r-electron densities in the order 3 > 2,4 when the auxiliary inductive parameter is small or zero, and to that extent the results correctly... 

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