Science · 2001 · 109 citations · 23 references
EngineeringComputational ChemistryVibronic InteractionOpen-shell No MoleculeCollisional RelaxationBiophysicsPotential Energy SurfacesPhysicsAtomic PhysicsPhysical ChemistryPair ApproximationQuantum ChemistryInelastic ScatteringAb-initio MethodNatural SciencesWave ScatteringApplied PhysicsLight ScatteringIon StructureMany-body Problem
State-resolved differential cross sections (DCSs) for the inelastic scattering of NO(j" = 0.5, Omega" = 1/2) + Ar --> NO(j', Omega' = 1/2, 3/2) + Ar were obtained at a collision energy of 516 cm(-1), both experimentally and theoretically. A crossed molecular beam ion-imaging apparatus was used to measure DCSs for 20 final (j', Omega') states, including spin-orbit conserving (DeltaOmega = 0) and changing (DeltaOmega = 1) transitions. Quantum close-coupling scattering calculations on ab initio coupled-cluster CCSD(T) and CEPA (correlated electron pair approximation) potential energy surfaces were also performed. Although small discrepancies were found for the DeltaOmega = 1 transitions, we find marked agreement between theory and experiment for the collision dynamics of this system, which is the paradigm for the collisional relaxation of a molecular radical.
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