Uniform semiclassical IVR treatment of the S-matrix

Y. Elran, K. G. Kay

Research output: Contribution to journalArticlepeer-review

31 Scopus citations

Abstract

An initial value representation (IVR) expression was obtained to develop a semiclassical treatment of the S-matrix for collinear collisions. These methods used integrals over initial conditions for the classical trajectories and were based on asymptotic analysis. The collision of an atom with a harmonic diatom was considered and then the final expression was generalized to arbitrary collinear collisions. The relation between the expression and the existing semiclassical methods was discussed and the developed method was found to be accurate having high computational efficiency requiring small number of classical trajectories.

Original languageEnglish
Pages (from-to)4362-4376
Number of pages15
JournalJournal of Chemical Physics
Volume114
Issue number10
DOIs
StatePublished - 8 Mar 2001

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