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Quantum study of electronically non-adiabatic collinear reactions. I. Hyperspherical description of the electronuclear dynamics

Lepetit, B. ; Launay, J.M. ; Le Dourneuf, M.

Chemical physics, 1986-07, Vol.106 (1), p.103-110 [Periódico revisado por pares]

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Título:
Quantum study of electronically non-adiabatic collinear reactions. I. Hyperspherical description of the electronuclear dynamics
Autor: Lepetit, B. ; Launay, J.M. ; Le Dourneuf, M.
Assuntos: Atomic and molecular collision processes and interactions ; Atomic and molecular physics ; Exact sciences and technology ; Physics ; Scattering of atoms, molecules and ions
É parte de: Chemical physics, 1986-07, Vol.106 (1), p.103-110
Descrição: The hyperspherical close-coupling formalism is applied to the study of triatomic collinear chemical reactions involving electronically non-adiabatic transitions. We propose the use of hyperspherical coordinates in the complex zone and of locally adapted Jacobi coordinates in the fragmentation zones. Matching procedures, allowing the switch from one representation to the other, are described. The possibility of long-range electrovibrational couplings is considered. Possible simplifications in the practical implementation of the formalism are examined.
Editor: Amsterdam: Elsevier B.V
Idioma: Inglês

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