### Abstract

The dynamics of collinear collisions of F with D_{2}(n _{1}
^{a}=0) have been studied using standard quasiclassical trajectory and classical S-matrix (semiclassical) techniques for collision energies ranging from 0.65 to 5.50 kcal mole^{-1} in the center-of-mass system. The results are compared to previous quantum mechanical calculations on the same potential energy surface. At most only three transitions (NR 0→0, R 0→3, and R 0→4) are "classically allowed" at any energy studied. Of these, the only transition for which the "uniform semiclassical" and quasiclassical results are significantly different is R 0→4. The predicted energy dependence of this transition is discussed in terms of recent experimental determinations of the relative rates of R 0→4 and R 0→3. The "classically forbidden" R 0-2 transition is predicted (using the complex-valued trajectory method) to have a probability which exhibits distinct oscillations as a function of collision energy.

Original language | English |
---|---|

Pages (from-to) | 4630-4635 |

Number of pages | 6 |

Journal | Journal of Chemical Physics |

Volume | 61 |

Issue number | 11 |

Publication status | Published - 1974 |

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### ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics

### Cite this

*Journal of Chemical Physics*,

*61*(11), 4630-4635.

**Comparison of quasiclassical trajectory and classical S -matrix treatments of collinear collisions of F and D2
.** / Whitlock, P. A.; Muckerman, James.

Research output: Contribution to journal › Article

*Journal of Chemical Physics*, vol. 61, no. 11, pp. 4630-4635.

}

TY - JOUR

T1 - Comparison of quasiclassical trajectory and classical S -matrix treatments of collinear collisions of F and D2

AU - Whitlock, P. A.

AU - Muckerman, James

PY - 1974

Y1 - 1974

N2 - The dynamics of collinear collisions of F with D2(n 1 a=0) have been studied using standard quasiclassical trajectory and classical S-matrix (semiclassical) techniques for collision energies ranging from 0.65 to 5.50 kcal mole-1 in the center-of-mass system. The results are compared to previous quantum mechanical calculations on the same potential energy surface. At most only three transitions (NR 0→0, R 0→3, and R 0→4) are "classically allowed" at any energy studied. Of these, the only transition for which the "uniform semiclassical" and quasiclassical results are significantly different is R 0→4. The predicted energy dependence of this transition is discussed in terms of recent experimental determinations of the relative rates of R 0→4 and R 0→3. The "classically forbidden" R 0-2 transition is predicted (using the complex-valued trajectory method) to have a probability which exhibits distinct oscillations as a function of collision energy.

AB - The dynamics of collinear collisions of F with D2(n 1 a=0) have been studied using standard quasiclassical trajectory and classical S-matrix (semiclassical) techniques for collision energies ranging from 0.65 to 5.50 kcal mole-1 in the center-of-mass system. The results are compared to previous quantum mechanical calculations on the same potential energy surface. At most only three transitions (NR 0→0, R 0→3, and R 0→4) are "classically allowed" at any energy studied. Of these, the only transition for which the "uniform semiclassical" and quasiclassical results are significantly different is R 0→4. The predicted energy dependence of this transition is discussed in terms of recent experimental determinations of the relative rates of R 0→4 and R 0→3. The "classically forbidden" R 0-2 transition is predicted (using the complex-valued trajectory method) to have a probability which exhibits distinct oscillations as a function of collision energy.

UR - http://www.scopus.com/inward/record.url?scp=36749116587&partnerID=8YFLogxK

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M3 - Article

VL - 61

SP - 4630

EP - 4635

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 11

ER -