Inelastic collision cross sections of CH(X 2Π) with He(1S) on new ab initio surfaces

作者: D Ben Abdallah , N Jaidane , Z Ben Lakhdar , A Spielfiedel , N Feautrier

DOI: 10.1063/1.1533010

关键词: Potential energyAtomic physicsAb initioElectron pairInelastic collisionReflection (mathematics)Ab initio quantum chemistry methodsChemistryReflection symmetryPopulation

摘要: Full close-coupled (CC) integral inelastic cross sections were determined for collisions between CH(X 2Π)(N′=1) and He. These calculations are based on new ab initio CEPA (coupled electron pair approach) potential energy surfaces computed by Abdallah et al. theoretical CC confirm a previous prediction of preferential population final states levels in which the electronic wave function CH molecule is antisymmetric with respect to reflection plane molecule. results compared experimental Macdonald At all energies discrepancies most cases less than 7% ratio sum four transitions into nominal A″ symmetry divided A′ symmetry. Nevertheless, there substantial disagreement magnitudes ratios particularly larger inelasticity.

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