A coupled‐channel study of electronic–vibrational– translational energy exchange in nonadiabatic collisions
| Autor: | R. P. Saxon, C. H. Becker |
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| Rok vydání: | 1981 |
| Předmět: | |
| Zdroj: | The Journal of Chemical Physics. 75:4899-4911 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.441929 |
| Popis: | Fully quantum mechanical coupled‐channel calculations of electronically nonadiabatic collisions in the presence of many vibrational states have been performed over a range of collision energies from 0.27 to 43.5 eV. The calculations were based on simplified model potentials for K+O2, considering the doublet potential curves arising from the ground electronic neutral K(2S)+O2(3Jg−) and ionic K+(1S)+O2−(2Πg) states, and assuming isotropic interaction. Comparison of calculated scattering properties and recent experimental results at hyperthermal energies for K+O2 indicates that the simplified model interaction nevertheless gives a good physical description. This work investigates the collision dynamics, while providing a reference for other more approximate theoretical approches. Processes leading to neutral and ionic products are discussed for this system where many vibronic channels are strongly coupled. |
| Databáze: | OpenAIRE |
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