Atomic orbital probability scattering

The OCT has recently been extended to cover many orbital effects in the chemical bond and reactivity phenomena [38, 68-70]. The orbital communications have also been used to study the bridge bond order components [71, 72] and the multiple probability scattering phenomena in the framework of the probability-amplitude channel [73]. The implicit bond-dependency origins of the indirect (bridge) interactions between atomic orbitals in molecules have also been investigated [74],... 

They give rise to the overall CBO matrix elements reflecting the 7r-electron population on orbital Xi = z yM = Z, Yu = 1/ and the chemical coupling between x< and its counterparts on carbon atoms in the relative ortho-, meta-, and para-positions, respectively, yiii+1 = 2/3, yIiI+2 = 0, yu+3 = -1/3. The resultant scattering of AO probabilities for the it electrons in benzene is shown in... 

The main purpose of this article is to show that periodic orbits are a very useful tool for investigating and predicting the dynamics of reactive scattering. In this section I would like to point out various problems for which a periodic orbit analysis will probably be quite useful. Foremost, we have only dealt with atom diatom collisions. The techniques outlined here are generalisable to atom-triatom and diatom-diatom collisions.Since more accurate potential energy surfaces are becoming available simultaneously with more detailed and accurate experiments such a study should be worthwhile. 

The Communication Theory of the Chemical Bond (CTCB) has been developed using the basic entropy/information descriptors of molecular information (communication) charmels in the AIM, orbital and local resolutions of the electron probability distributirms [9-11, 33-48]. The same bond descriptors have been used to provide the information-scattering perspective on the intermediate stages in the electron redistribution processes [49], including the atom promotion via the orbital hybridization [50], and the communication theory for the excited electron configurations has been developed [51]. Moreover, a phenomenological treatment of equilibria in molecular subsystems has been proposed [9,52-54], which formally resembles the ordinary thermodynamic description. 

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