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The Interaction-Asymptotic Region Decomposition Method in Jacobi Coordinates: Triatomic Reactive Scatterings

Yajian Shu1,2, Hailin Zhao1, Zhigang Sun1

  • 1State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.

The Journal of Physical Chemistry. A
|September 10, 2024
PubMed
Summary

The interaction-asymptotic region decomposition (IARD) technique now uses Jacobi coordinates for improved reactive scattering calculations. This enhanced method efficiently handles complex reactions, offering accurate results with simpler calculations.

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