Theoretical and experimental total state-selected and state-to-state cross sections. III. The (Ar+H2)+ system
Baer, M. ; Liao, C. -L. ; Xu, R. ; Flesch, G. D. ; Nourbakhsh, S. ; Ng, C. Y. ; Neuhauser, D.
College Park, Md. : American Institute of Physics (AIP)
Published 1990
College Park, Md. : American Institute of Physics (AIP)
Published 1990
| ISSN: |
1089-7690
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| Source: |
AIP Digital Archive
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| Topics: |
Physics
Chemistry and Pharmacology
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| Notes: |
A detailed three-dimensional quantum mechanical study of the (Ar+H2)+ system along the energy range 0.4 eV≤Etot≤1.65 eV is presented. The main difference between this new treatment and the previously published one [J. Chem. Phys. 87, 465 (1987)] is the employment of a new version of the reactive infinite-order sudden approximation (IOSA), which is based on the ordinary inelastic IOSA carried out for an optical potential. In the numerical treatment we include three surfaces (only two were included in the previous treatment), one which correlates with the Ar+H+2 system and two which correlate with the two spin states of Ar+(2Pj); j=3/2,1/2. The results are compared with both trajectory-surface-hopping calculations and with experiments. In most cases, very good agreement is obtained.
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| Type of Medium: |
Electronic Resource
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| URL: |