Numerical implementation of reactive scattering theory

Algorithms for the effective calculation of reactive scattering probabilities are developed and tested on the hydrogenic atom–diatom system described by the Siegbahn–Liu–Truhlar–Horowitz potential energy surface. A three-dimensional finite element procedure is designed from a description in terms of...

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Veröffentlicht in:	The Journal of chemical physics 1989-06, Vol.90 (11), p.6254-6265
Hauptverfasser:	LINDERBERG, J, PADKJÆR, S. B, OHRN, Y, VESSAL, B
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular collision processes and interactions Atomic and molecular physics Exact sciences and technology Physics Scattering of atoms, molecules and ions
Online-Zugang:	Volltext
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