A quantum approach to chemical processes is developed. The chemical interconversion is described as an electronic process. The reaction corresponds to histories involving quantum states belonging to different stationary molecular Hamiltonians. The system Ε½ . may be embedded in a weak thermal andror
A quantum-mechanical study of chemical reaction and charge-transfer processes in the (Ar + H2)+ system
β Scribed by Michael Baer; Hiroki Nakamura; Akihiko Ohsaki
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 540 KB
- Volume
- 131
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
A three-dimensional quantum-mechanical study of the (Ar + Hz)+ system within the reactive infinite-order sudden approximation is presented. All four possible channels for chemical reaction and charge transfer were treated simultaneously. The various cross sections deviate by at most 50% from recent trajectory surface hopping results.
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