作者: D Ben Abdallah , N Jaidane , Z Ben Lakhdar , A Spielfiedel , N Feautrier
DOI: 10.1063/1.1533010
关键词: Potential energy 、 Atomic physics 、 Ab initio 、 Electron pair 、 Inelastic collision 、 Reflection (mathematics) 、 Ab initio quantum chemistry methods 、 Chemistry 、 Reflection symmetry 、 Population
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.