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

Nikola Markovic, Gert D. Billing, James Muckerman

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

We have applied the fast-Fourier-transform (FFT) method for propagating the solution of the time-dependent Schrödinger equation for a reactive atom-diatom collision in hyperspherical coordinates. In the present paper the dimensionality of the quantum subspace is reduced to two by introducing a semiclassical approximation, but extension to three or four dimensions is straightforward.

Original languageEnglish
Pages (from-to)509-514
Number of pages6
JournalChemical Physics Letters
Volume172
Issue number6
DOIs
Publication statusPublished - Sep 21 1990

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algae
Fast Fourier transforms
grids
Scattering
Atoms
collisions
approximation
scattering
atoms

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

On the use of grid methods for the solution of reactive scattering problems in hyperspherical coordinates. / Markovic, Nikola; Billing, Gert D.; Muckerman, James.

In: Chemical Physics Letters, Vol. 172, No. 6, 21.09.1990, p. 509-514.

Research output: Contribution to journalArticle

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