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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 1944-1954 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The vibrational predissociation of a van der Waals complex (Cl2Ne) is studied using a method based on the multiconfiguration time-dependent Hartree approximation. The three-dimensional wave function is first expanded to the time-independent Cl2 vibrational bases and the Hartree approximation is then imposed on the channel wave functions. The wave packets are propagated for a few picoseconds and five configurations are found to give convergent results. The decay lifetimes, product state distributions and the wave packet dynamics are compared with exact results and the agreement is found to be generally satisfactory. It is found that the decay depends sensitively on the quality of the initial resonance wave function and the single configuration TDH gives only a crude approximation of the dissociation dynamics. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
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