Quantal transition probabilities from classical trajectories: Application to the collinear reactive H + Cl2 system

U. Halavee; R. D. Levine

doi:10.1016/0009-2614(77)85158-0

Quantal transition probabilities from classical trajectories: Application to the collinear reactive H + Cl₂ system

U. Halavee^*
, R. D. Levine

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

23 Scopus citations

Abstract

Moments of the classically computed distribution of products vibrational energy are employed to generate a discrete vibrational state distribution. The built-in convergence criterion of the method is discussed and demonstrated. Comparison is made with the quantal results for the collinear H + Cl₂ reaction and with the experimental results for the H + F₂ reaction.

Original language	English
Pages (from-to)	35-41
Number of pages	7
Journal	Chemical Physics Letters
Volume	46
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(77)85158-0
State	Published - 15 Feb 1977

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title = "Quantal transition probabilities from classical trajectories: Application to the collinear reactive H + Cl2 system",

abstract = "Moments of the classically computed distribution of products vibrational energy are employed to generate a discrete vibrational state distribution. The built-in convergence criterion of the method is discussed and demonstrated. Comparison is made with the quantal results for the collinear H + Cl2 reaction and with the experimental results for the H + F2 reaction.",

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AU - Levine, R. D.

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N2 - Moments of the classically computed distribution of products vibrational energy are employed to generate a discrete vibrational state distribution. The built-in convergence criterion of the method is discussed and demonstrated. Comparison is made with the quantal results for the collinear H + Cl2 reaction and with the experimental results for the H + F2 reaction.

AB - Moments of the classically computed distribution of products vibrational energy are employed to generate a discrete vibrational state distribution. The built-in convergence criterion of the method is discussed and demonstrated. Comparison is made with the quantal results for the collinear H + Cl2 reaction and with the experimental results for the H + F2 reaction.

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Quantal transition probabilities from classical trajectories: Application to the collinear reactive H + Cl₂ system

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