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Reactive scattering by wave packet propagation. A semiclassical calculation of cross sections

✍ Scribed by Nicola Marković; Gert D. Billing

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
652 KB
Volume
173
Category
Article
ISSN
0301-0104

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📜 SIMILAR VOLUMES

The semiclassical solution of reactive s
The semiclassical solution of reactive scattering problems by wave packet propagation in hyperspherical coordinates
✍ Nikola Marković; Gert D. Billing 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 787 KB

The propagation of the solution to the time-dependent Schrijdinger equation using grid methods has been investigated. The convergence of reaction probabilities with respect to the grid size as well as the efficiency of different propagation schemes (Chebyshev, Lanczos) and kinetic energy evaluation