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, Mark A Ratner, L. Gibson, C. Cerjan

Research output: Contribution to journalArticle

90 Citations (Scopus)

Abstract

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
JournalJournal of Chemical Physics
Volume87
Issue number5
Publication statusPublished - 1987

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self consistent fields
dissociation
approximation
Wave packets
Quantum theory
wave packets
quantum mechanics
life (durability)
excitation

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

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. / Bisseling, R. H.; Kosloff, R.; Gerber, R. B.; Ratner, Mark A; Gibson, L.; Cerjan, C.

In: Journal of Chemical Physics, Vol. 87, No. 5, 1987, p. 2760-2765.

Research output: Contribution to journalArticle

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