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A wave packet Golden Rule treatment of vibrational predissociation

AuthorsVillarreal, Pablo ; Miret-Artés, Salvador ; Roncero, Octavio ; Delgado Barrio, Gerardo ; Beswick J. Alberto; Halberstadt, Nadine; Coalson, R.D.
Issue Date1991
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 94: 4230- 4233 (1991)
AbstractThe time-dependent wave packet technique is applied to the Golden Rule treatment of vibrational predissociation. The wave packet at time zero is taken as the product of the quasibound wave function and the coupling inducing predissociation. The rate for vibrational predissociation can then be obtained by Fourier transform into the energy domain of the time-dependent wave packet autocorrelation function. The method has been applied to a model triatomic van der Waals molecule. It is shown that when the bound-state components of the wave packet are projected out, the time-dependent version of the Golden Rule approximation provides an alternative efficient technique to treat intramolecular decay. © 1991 American Institute of Physics.
Identifiersdoi: 10.1063/1.460631
issn: 0021-9606
Appears in Collections:(CFMAC-IFF) Artículos
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