A Time-Independent Quantum Approach to Ro-vibrationally Inelastic Scattering between Atoms and Triatomic Molecules.

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.