Angular momentum decoupling approximations in the quantum dynamics of reactive systems

Aron Kuppermann*, George C. Schatz, John P. Dwyer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

31 Scopus citations

Abstract

Two methods for implementing angular momentum decoupling approximations in quantum mechanical reactive scattering examined. Applications of both reactive and nonreactive H + H2 collisions indicate that for the most intense individual reactive transitions and for all degeneracy-averaged ones, these decoupling methods (especially the "proper" decoupling method) yield results in good agreement with those of fully-coupled calculations. However, for the less intense reactive transitions and all individual nonreactive transitions, very large errors can result from use of these approximate methods.

Original languageEnglish (US)
Pages (from-to)71-73
Number of pages3
JournalChemical Physics Letters
Volume45
Issue number1
DOIs
StatePublished - Jan 1 1977

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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