Optical model for potential surface crossing

Bruce A. Garetz; Lise Lotte Poulsen; J. I. Steinfeld

doi:10.1016/0301-0104(75)80077-2

Optical model for potential surface crossing

Bruce A. Garetz, Lise Lotte Poulsen, J. I. Steinfeld

Chemical and Biomolecular Engineering

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

Abstract

We have extended the surface-crossing classical trajectory study of collision-induced predissociation in I^*₂ from one to three dimensions, and found good agreement with experiment using a single-branch model. Also, an optical model trajectory study was carried out for the same system on a single effective potential surface. This model allows one to systematically vary the coupling coefficient to achieve the best fit with experimental results, based on one set of trajectories instead of running a set of trajectories for each value of this parameter.

Original language	English (US)
Pages (from-to)	385-391
Number of pages	7
Journal	Chemical Physics
Volume	9
Issue number	3
DOIs	https://doi.org/10.1016/0301-0104(75)80077-2
State	Published - Jul 1975

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0301-0104(75)80077-2

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title = "Optical model for potential surface crossing",

abstract = "We have extended the surface-crossing classical trajectory study of collision-induced predissociation in I*2 from one to three dimensions, and found good agreement with experiment using a single-branch model. Also, an optical model trajectory study was carried out for the same system on a single effective potential surface. This model allows one to systematically vary the coupling coefficient to achieve the best fit with experimental results, based on one set of trajectories instead of running a set of trajectories for each value of this parameter.",

author = "Garetz, {Bruce A.} and Poulsen, {Lise Lotte} and Steinfeld, {J. I.}",

year = "1975",

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AU - Garetz, Bruce A.

AU - Poulsen, Lise Lotte

AU - Steinfeld, J. I.

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N2 - We have extended the surface-crossing classical trajectory study of collision-induced predissociation in I*2 from one to three dimensions, and found good agreement with experiment using a single-branch model. Also, an optical model trajectory study was carried out for the same system on a single effective potential surface. This model allows one to systematically vary the coupling coefficient to achieve the best fit with experimental results, based on one set of trajectories instead of running a set of trajectories for each value of this parameter.

AB - We have extended the surface-crossing classical trajectory study of collision-induced predissociation in I*2 from one to three dimensions, and found good agreement with experiment using a single-branch model. Also, an optical model trajectory study was carried out for the same system on a single effective potential surface. This model allows one to systematically vary the coupling coefficient to achieve the best fit with experimental results, based on one set of trajectories instead of running a set of trajectories for each value of this parameter.

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JO - Chemical Physics

JF - Chemical Physics

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Optical model for potential surface crossing

Abstract

ASJC Scopus subject areas

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