Wigner distribution trajectory method for collision induced dissociation

Joni C. Gray, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

24 Scopus citations

Abstract

A new way to calculate probabilities for collision induced dissociation is proposed and tested. The method involves classical trajectories whose initial conditions are determined by a Wigner transform of the initial quantum state. The results are compared to accurate quantal calculations and are found to be more accurate than those calculated by the standard quasiclassical trajectory method, especially in the threshold region.

Original languageEnglish (US)
Pages (from-to)5350-5355
Number of pages6
JournalThe Journal of chemical physics
Volume76
Issue number11
DOIs
StatePublished - 1981

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