Nonadiabatic transitions in chemical reactions: A quantum mechanical study
β Scribed by Z.H. Top; M. Baer
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 825 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0301-0104
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π SIMILAR VOLUMES
1974 '. ,A quantum-mechnnka1 model for nowidiabatic collinear'chemic~l &actions witly idealized potcntk1 crier@ surfaces is prcscfited. A strong dependence of the reacijon's outcome dn the enere) pp between.thc electronic surfacesis minifated and the efficicnt,vibrational populatibn-inversion found
## Abstract To investigate the extent of nonadiabatic effects in the title reaction, quasiβclassical trajectory and nonadiabatic quantum scattering as well as the nonadiabatic quantumβclassical trajectory calculations were performed on the accurate __ab initio__ benchmark potential energy surfaces
A time-dependent fully quantum response theory for mesoscopic systems is developed in the Heisenberg representation rather than the usual interaction representation. In the mesoscopic system itself, the difference between \(\mu_{+}\)and \(\mu_{-}\)quasi-chemical potentials for forward-direction and