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

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Donald G Truhlar

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

Article 1987 en

Authors

DS
David W. Schwenke
Donald G Truhlar
MC
Michael E. Coltrin

Abstract

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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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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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