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Quantum mechanical reactive scattering theory
Author(s) -
Kouri D. J.
Publication year - 1986
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550180916
Subject(s) - formalism (music) , quantum , chemistry , scattering , atom (system on chip) , general theory , scattering theory , quantum mechanics , classical mechanics , theoretical physics , physics , computer science , art , musical , visual arts , embedded system
In this article we briefly discuss a number of promising approaches to the formulation of a general, numerically exact, quantum mechanical theory of fully three‐dimensional reactive atom‐diatom collisions. It is noted that the ability to treat the three‐dimensional H + H 2 exchange reactions is pre‐requisite to any demonstration of the success of a general quantum mechanical formalism for reactivescattering. However, it is also noted that the time has come for any such theory to further demonstrate the ability to go beyond this basic, elementary atom‐diatom exchange reaction. It is speculated that there now exist a number of approaches which can potentially provide such a general framework for quantum reactive scattering theory. Finally, a new generalizationof the Faddeev formalism for such systems, which is capable of inclusion ofthree body forces with a completely general form for the potential surface, is presented.