✦ LIBER ✦

The semiclassical solution of reactive scattering problems by wave packet propagation in hyperspherical coordinates

✍ Scribed by Nikola Marković; Gert D. Billing

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 787 KB
Volume: 195
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(92)85910-3

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✦ Synopsis

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 methods (FFT, DVR) has been studied using a semiclassical scattering model.

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On the use of grid methods for the solut

On the use of grid methods for the solution of reactive scattering problems in hyperspherical coordinates

✍ Nikola Markovic; Gert D. Billing; James T. Muckerman 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 817 KB

We have applied the fast-Fourier-transform (FFT) method for propagating the solution of the timedepcndent Schriidinger equation for a reactive atom-diatom collision in hyperspkrical coordinates. Iithe present paper the dimensionaliv of the quantum subspace is reduced to two by introducing a semiclas