A new numerical method for quantum collinear chemical reactions using Delves' coordinates is described. The method used R-matrix propagation along the radial coordinate and a Delves'-cartesian coordinate transformation for the R matrix in the asymptotic region. Application is made to the H + H2(n <
New method for quantum reactive scattering, with applications to the 3-D H+H2 reaction
β Scribed by John Z.H. Zhang; William H. Miller
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 601 KB
- Volume
- 140
- Category
- Article
- ISSN
- 0009-2614
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