Classical trajectories are calculated on model surfaces designed to reproduce the reactive-unreactive bands found with the SShlK and Yates-Lester surfaces for the H + Hz system cmd other A f BC systems. The model surfaces are based on a rectiIinear reaction path, with a constant period of vibration,
A new aspect of convergence in atom-molecule collisions
β Scribed by C.S. Lin
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 222 KB
- Volume
- 74
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Ther;ire ofconverpenceof~c~redcrosssectlollso uly~ CE)~shownto =xry sennti~elywith theenergyanddetenorates markedly when an mterfermg state (""-1") becomes energetically open.
π SIMILAR VOLUMES
The quantum-mechanical equivalent of a classically vibrating molecular ion during an ion-pair formation collision is prcsenrcd. The classical vibration in the quanta1 representation is explained as an interference between partial waves which ~oI\c along neighbowing vibronic states during the collisi
Efficient vibrational excitation and dissociation of halogen molecules have been observed in molecular dynamics simulations of shock-heated ram-gas clusters. We discuss the propensity for such transfen in a single atom-molecule collision and present classical trajectory computational results. Rather
## Abstract We have investigated the convergence of third order correlation energy within the hierarchies of correlation consistent basis sets for helium, neon, and water, and for three stationary points of hydrogen peroxide. This analysis confirms that singlet pair energies converge much slower th