### 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 language | English |
---|---|

Pages (from-to) | 2760-2765 |

Number of pages | 6 |

Journal | Journal of Chemical Physics |

Volume | 87 |

Issue number | 5 |

Publication status | Published - 1987 |

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### ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics

### Cite this

_{2}He: Comparison of exact time-dependent quantum calculation with the quantum time-dependent self-consistent field (TDSCF) approximation.

*Journal of Chemical Physics*,

*87*(5), 2760-2765.

**Exact time-dependent quantum mechanical dissociation dynamics of I _{2}He : 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.

Research output: Contribution to journal › Article

_{2}He: Comparison of exact time-dependent quantum calculation with the quantum time-dependent self-consistent field (TDSCF) approximation',

*Journal of Chemical Physics*, vol. 87, no. 5, pp. 2760-2765.

_{2}He: Comparison of exact time-dependent quantum calculation with the quantum time-dependent self-consistent field (TDSCF) approximation. Journal of Chemical Physics. 1987;87(5):2760-2765.

}

TY - JOUR

T1 - Exact time-dependent quantum mechanical dissociation dynamics of I 2He

T2 - Comparison of exact time-dependent quantum calculation with the quantum time-dependent self-consistent field (TDSCF) approximation

AU - Bisseling, R. H.

AU - Kosloff, R.

AU - Gerber, R. B.

AU - Ratner, Mark A

AU - Gibson, L.

AU - Cerjan, C.

PY - 1987

Y1 - 1987

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=36549103087&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=36549103087&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:36549103087

VL - 87

SP - 2760

EP - 2765

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 5

ER -