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Scattering Matrix Elements For The Nonadiabatic Collision B (2PJₐ) + H2 (1Σ+G, Ν, Ј) ↔ B (2PJ’ₐ) + H2 (1Σ+G, Ν’, J’), Luke A. Barger
Scattering Matrix Elements For The Nonadiabatic Collision B (2PJₐ) + H2 (1Σ+G, Ν, Ј) ↔ B (2PJ’ₐ) + H2 (1Σ+G, Ν’, J’), Luke A. Barger
Theses and Dissertations
Scattering matrix elements are calculated for the nonadiabatic inelastic collision B (2Pjₐ) + H2 (1Σ+g, ν, ј) ↔ B (2Pj’ₐ) + H2 (1Σ+g, ν’, j’). This calculation utilizes the effective potential energy surfaces for this collision generated by Garvin along with a correction to the asymptotic H2 potential. Wavepackets are propagated on these surfaces using a split-operator propagator. This propagation yields correlation functions between reactant and product Møller states which are used to calculate the scattering …