Abstract
Fundamental aspects of chemical reactivity have been actively studied in recent years in terms of molecular motions on given potential energy surfaces /1/. These surfaces are obtained after separation of electronic and nuclear motions has been accomplished within the adiabatic approximation. The separation of electronic and nuclear portions of the problem has proved fruitful from the computational point of view, but has prevented a deeper understanding of chemical bonding in a reactive process. The molecular-orbital or valence-bond (VB) methods employed in reactive problems are the same ones used to describe stable chemical species. In this contribution we want to discuss some of the conceptual understanding that may be extracted from a simultaneous treatment of both electronic and nuclear motions in reactive molecular collisions.
Supported by NSF Grant MPS-75-01077
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References
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Micha, D.A. (1976). Many-Body Theory of Molecular Collisions. In: Calais, JL., Goscinski, O., Linderberg, J., Öhrn, Y. (eds) Quantum Science. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-1659-7_24
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DOI: https://doi.org/10.1007/978-1-4757-1659-7_24
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