Exact time-dependent quantum mechanical dissociation dynamics of I 2He: Comparison of exact time-dependent quantum calculation with the quantum time-dependent self-consistent field (TDSCF) approximation

R. H. Bisseling, R. Kosloff, R. B. Gerber, M. A. Ratner, L. Gibson, C. Cerjan

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The vibrational predissociation dynamics of a collinear model of the I 2(v)He cluster is studied by numerically exact time-dependent quantum mechanics, and by the time-dependent self-consistent field (TDSCF) approximation. The time evolution for the initial excitation levels v = 5, 11, 22 is explored. Excellent agreement is found between the TDSCF and the exact evolution of the wave packet; in particular the approximation reproduces well the dephasing events in the dynamics, and the measurable predissociation lifetimes. The results are very encouraging as to the applicability of quantum TDSCF as a quantitative tool in the study of van der Waals predissociation dynamics.

Original languageEnglish
Pages (from-to)2760-2765
Number of pages6
JournalThe Journal of Chemical Physics
Issue number5
Publication statusPublished - Jan 1 1987


ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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