Comparison of close coupling and quasiclassical trajectory calculations for rotational energy transfer in the collision of two HF molecules on a realistic potential energy surface

David W. Schwenke; Donald G. Truhlar; Michael E. Coltrin

doi:10.1063/1.453253

Comparison of close coupling and quasiclassical trajectory calculations for rotational energy transfer in the collision of two HF molecules on a realistic potential energy surface

David W. Schwenke
, Donald G. Truhlar
, Michael E. Coltrin

Chemistry (Twin Cities)

Research output: Contribution to journal › Review article › peer-review

13 Scopus citations

Abstract

We report rigid-rotator close coupling calculations and quasiclassical trajectory calculations for HF-HF collisions with total angular momentum zero. The results are compared to test the trajectory method.

Original language	English (US)
Pages (from-to)	983-992
Number of pages	10
Journal	The Journal of chemical physics
Volume	87
Issue number	2
DOIs	https://doi.org/10.1063/1.453253
State	Published - 1987

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10.1063/1.453253

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Comparison of close coupling and quasiclassical trajectory calculations for rotational energy transfer in the collision of two HF molecules on a realistic potential energy surface. / Schwenke, David W.; Truhlar, Donald G.; Coltrin, Michael E.
In: The Journal of chemical physics, Vol. 87, No. 2, 1987, p. 983-992.

Research output: Contribution to journal › Review article › peer-review

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title = "Comparison of close coupling and quasiclassical trajectory calculations for rotational energy transfer in the collision of two HF molecules on a realistic potential energy surface",

abstract = "We report rigid-rotator close coupling calculations and quasiclassical trajectory calculations for HF-HF collisions with total angular momentum zero. The results are compared to test the trajectory method.",

author = "Schwenke, \{David W.\} and Truhlar, \{Donald G.\} and Coltrin, \{Michael E.\}",

year = "1987",

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AU - Truhlar, Donald G.

AU - Coltrin, Michael E.

PY - 1987

Y1 - 1987

N2 - We report rigid-rotator close coupling calculations and quasiclassical trajectory calculations for HF-HF collisions with total angular momentum zero. The results are compared to test the trajectory method.

AB - We report rigid-rotator close coupling calculations and quasiclassical trajectory calculations for HF-HF collisions with total angular momentum zero. The results are compared to test the trajectory method.

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AN - SCOPUS:0039752702

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JO - The Journal of chemical physics

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Comparison of close coupling and quasiclassical trajectory calculations for rotational energy transfer in the collision of two HF molecules on a realistic potential energy surface

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