Quantum reactive scattering in three dimensions: using tangent-sphere coordinates to smoothly transform from hyperspherical to Jacobi regions

Gregory A. Parker; Mark Keil; Michael A. Morrison; Stefano Crocchianti

doi:10.1063/1.481876

Quantum reactive scattering in three dimensions: using tangent-sphere coordinates to smoothly transform from hyperspherical to Jacobi regions

Gregory A. Parker, Mark Keil, Michael A. Morrison, Stefano Crocchianti

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

5 Scopus citations

Abstract

The use of a third set of orthogonal coordinates to connect the hyperspherical and Jacobi coordinates is demonstrated. As an example, the F+H₂⇔HF+F reaction is considered.

Original language	English
Pages (from-to)	957-970
Number of pages	14
Journal	Journal of Chemical Physics
Volume	113
Issue number	3
DOIs	https://doi.org/10.1063/1.481876
State	Published - 15 Jul 2000
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.481876

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title = "Quantum reactive scattering in three dimensions: using tangent-sphere coordinates to smoothly transform from hyperspherical to Jacobi regions",

abstract = "The use of a third set of orthogonal coordinates to connect the hyperspherical and Jacobi coordinates is demonstrated. As an example, the F+H2⇔HF+F reaction is considered.",

author = "Parker, {Gregory A.} and Mark Keil and Morrison, {Michael A.} and Stefano Crocchianti",

year = "2000",

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doi = "10.1063/1.481876",

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journal = "Journal of Chemical Physics",

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T1 - Quantum reactive scattering in three dimensions

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AU - Parker, Gregory A.

AU - Keil, Mark

AU - Morrison, Michael A.

AU - Crocchianti, Stefano

PY - 2000/7/15

Y1 - 2000/7/15

N2 - The use of a third set of orthogonal coordinates to connect the hyperspherical and Jacobi coordinates is demonstrated. As an example, the F+H2⇔HF+F reaction is considered.

AB - The use of a third set of orthogonal coordinates to connect the hyperspherical and Jacobi coordinates is demonstrated. As an example, the F+H2⇔HF+F reaction is considered.

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DO - 10.1063/1.481876

M3 - Article

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JO - Journal of Chemical Physics

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IS - 3

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Quantum reactive scattering in three dimensions: using tangent-sphere coordinates to smoothly transform from hyperspherical to Jacobi regions

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