Classical probability matrix: Prediction of quantum-state distributions by a moment analysis of classical trajectories

Donald G. Truhlar, James W. Duff

Research output: Contribution to journalArticle

56 Scopus citations

Abstract

A new method is presented for extracting approximate quantum mechanical state-to-state transition probabilities from the results of classical trajectory calculations. The method recognizes quantum discreteness by dealing with the quantum mechanical probability matrix, but all dynamical quantities are evaluated by classical mechanics. It is illustrated by application to the linear atom-diatom collision (vibrational excitation); it is capable of treating both classically allowed and classically forbidden processes.

Original languageEnglish (US)
Pages (from-to)551-554
Number of pages4
JournalChemical Physics Letters
Volume36
Issue number4
DOIs
StatePublished - Dec 1 1975

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