Determination of bound-free dissociative couplings via classical fourier coefficients

Emmanuel Tannenbaum, Eric J. Heller

Research output: Contribution to journalArticlepeer-review

Abstract

An approach to compute couplings between bound and unbound wave functions was presented. Only classical Fourier coefficients of the Hamiltonians were used for the analysis.The approach was an extension of the technique used in the action-angle representation to compute bound-state to bound-state couplings. For one-dimensional Hamiltonians, an analogous approach was developed and demonstrated for several coupling potentials. The discussion about the generalization of higher dimensions was also done.

Original languageEnglish
Pages (from-to)9574-9579
Number of pages6
JournalJournal of Chemical Physics
Volume117
Issue number21
DOIs
StatePublished - 1 Dec 2002
Externally publishedYes

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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