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Updated: Oct 26, 2025

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
Published on: August 6, 2018
A Time-Independent Quantum Approach to Ro-vibrationally Inelastic Scattering between Atoms and Triatomic Molecules
Dongzheng Yang1, Daiqian Xie1, Hua Guo2
1Institute of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China.
Abstract:
A full-dimensional time-independent quantum mechanical theory for ro-vibrationally inelastic scattering of triatomic molecules with atoms is formulated. The Jacobi-Radau coordinate system used in the calculation allows not only a near perfect description of the vibrational problem but also the adaptation of the exchange symmetry for A2B type triatoms. The S-matrix elements are obtained by solving the close-coupling equations with contracted basis using the log-derivative method. This method is applied to the inelastic scattering of the water molecule by a chlorine atom, which sheds light on the energy gap law in energy transfer in atom-triatom collisions.
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