Molecular partial information channels

Scheme 1.9 The molecular partial information channels and their entropy/information descriptors of the chemical interaction between the adjacent (Panel a) and terminal (Panel b) AO in the jt-electron system of allyl.

R.F. Nalewajski, Partial communication channels of molecular fragments and their entropy/information indices, Mol. Phys. 103 (2005) 451. 

The structure of the p-p propagator is very similar to that of G. This popagator describes the simultaneous annihilation of two electrons from the system as well as the simultaneous attachment of two electrons to the system. In particular, the pole positions of the first and second part of FI represent double ionization potentials (DIP) and double attachment energies. DIPs, EAs, and IPs are, of course, important quantities of electronic systems. But not only the pole positions are related to experiment. The residue amplitudes and contain relevant information on the single and double ionization and attachment (or scattering) processes. For instance, the partial-channel photoionization cross section for production of molecular ions in the nth state reads in the sudden approximation ... 

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